Time-Resolved Crystallography Publications
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Please include the following paragraph in all publications based on data obtained at BioCARS:
Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DE-AC02-06CH11357. Use of the BioCARS Sector 14 was supported by the National Institutes of Health, National Institute of General Medical Sciences grant P41GM103543 (formerly National Center for Research Resources P41RR007707).
For time-resolved publications, please also include the following:
Time-resolved set-up at Sector 14 was funded in part through a collaboration with Philip Anfinrud (NIH/NIDDK).
2013
Yang Ouk Jung, Jae Hyuk Lee, Joonghan Kim, Marius Schmidt, Keith Moffat, Vukica Srajer, and Hyotcherl Ihee
Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography.
Nat. Chem. 5, 212 (March 2013)
DOI: 10.1038/NCHEM.1565
abstract
Zhong Ren, Peter W. Y. Chan, Keith Moffat, Emil F. Pai, William E. Royer, Jr., Vukica Srajer and Xiaojing Yang
Resolution of structural heterogeneity in dynamic crystallography
Acta Cryst. D69 (2013)
DOI: 10.1107/S0907444913003454
abstract
2012
Eric Collet, Nicolas Moisan, Chérif Baldé, Roman Bertoni, Elzbieta Trzop, Claire Laulhé, Maciej Lorenc, Marina Servol, Hervé Cailleau, Antoine Tissot, Marie-Laure Boillot, Timothy Graber, Robert Henning, Philip Coppens, Marylise Buron-Le Cointe
Ultrafast spin-state photoswitching in a crystal and slower consecutive processes investigated by femtosecond optical spectroscopy and picosecond X-ray diffraction.
Phys. Chem. Chem. Phys. 14 (18), 6185-6192
abstract
S.M. Durbin, T. Clevenger, T. Graber, R. Henning
X-ray pump optical probe cross-correlation study of GaAs
Nat. Photonics 6, 111-114 (2012)
abstract
Jaroslaw A. Kalinowski, Bertrand Fournier, Anna Makal, Philip Coppens
The LaueUtil toolkit for Laue photocrystallography. II. Spot finding and integration
J. Synchrotron Rad. 19 (4), 637-646 (2012)
abstract
Anna Makal, Jason Benedict, Elzbieta Trzop, Jesse Sokolow, Bertrand Fournier, Yang Chen, Jarosław A. Kalinowski, Tim Graber, Robert Henning, Philip Coppens
Restricted Photochemistry in the Molecular Solid State: Structural Changes on Photoexcitation of Cu(I) Phenanthroline Metal-to-Ligand Charge Transfer (MLCT) Complexes by Time-Resolved Diffraction
J. Phys. Chem. A 116 (13), 3359-3365 (2012)
abstract
R. Neutze, K. Moffat
Time-resolved structural studies at synchrotrons and X-ray free electron lasers: opportunities and challenges
Curr. Opin. Struct. Biol. 22, 651–659 (2012)
abstract
Zhong Ren, Vukica Srajer, James E. Knapp, William E. Royer, Jr.
Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures
Proc. Natl. Acad. Sci. USA 109 (1), 107-112 (2012)
abstract
M. Schmidt, V. Srajer, N. Purwar, S. Tripathi
The kinetic dose limit in room-temperature time-resolved macromolecular crystallography
J. Synchrotron Rad. 19 (2), 264-273 (2012)
abstract
F. Schotte, H.S. Cho, V.R.I. Kaila, H. Kamikubo, N. Dashdorj, E.R. Henry, T.J. Graber, R. Henning, M. Wulff, G. Hummer, M. Kataoka, P.A. Anfinrud
Watching a signaling protein function in real time via 100-ps time-resolved Laue crystallography
PNAS 109, 19256–19261 (2012)
abstract
Shailesh Tripathi, Vukica Šrajer, Namrta Purwar, Robert Henning, Marius Schmidt
pH Dependence of the Photoactive Yellow Protein Photocycle Investigated by Time-Resolved Crystallography
Biophys. J. 102 (2), 325-332 (2012)
abstract
2011
Makal, A., E. Trzop, J. Sokolow, J. Kalinowski, J. Benedict, P. Coppens
The development of Laue Techniques for single pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear-rhodium organometallic complex.
Acta Cryst. A67 319-326 (2011)
abstract
Benedict, J.B., A. Makal, J.D. Sokolow, E. Trzop, S. Scheins, R. Henning, T. Graber, P. Coppens
Time-resolved Laue diffraction of excited species at atomic resolution: 100 ps single-pulse diffraction of the excited state of the organometalic complex Rh2(µ-PNP)2(PNP)2 BPh4
Chem. Commun. 47 1704-1706 (2011)
abstract
Graber, T., P. Anfinrud, H. Brewer, Y-S Chen, H-S Cho, N. Dashdorj, R.W. Henning, I. Kosheleva, G. Macha, M. Meron, R. Pahl, Z. Ren, S. Ruan, F. Schotte, V. Šrajer, P.J. Viccaro, F. Westferro, K. Moffat
BioCARS: A Synchrotron Resource for Time-Resolved X-ray Science
J. Synchrotron Rad. 18 658-670 (2011)
abstract
Jaroslaw A. Kalinowski, Anna Makal, Philip Coppens
The LaueUtil toolkit for Laue photocrystallography. I. Rapid orientation matrix determination for intermediate-size-unit-cell Laue data
J. Appl. Crystallogr. 44 (6), 1182-1189 (2011)
abstract
Toellner, T.S., E.E. Alp, T. Graber, R.W. Henning, S.D. Shastri, G. Shenoy, W. Sturhahn
Synchrotron Mössbauer spectroscopy using high-speed shutters
J. Synchrotron Rad. 18 (2) 183-188 (2011)
abstract
Xiaojing Yang, Zhong Ren, Jane Kuk, Keith Moffat
Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophystochrome
Nature 479 428-432 (2011)
abstract
2010
Coppens, Philip, Jason Benedict, Marc Messerschmidt, Irina Novozhilova, Tim Graber, Yu-Sheng Chen, Ivan Vorontsov, Stephan Scheinsa, Shao-Liang Zheng
Time-resolved synchrotron diffraction and theoretical studies of very short-lived photo-induced molecular species
Acta Cryst. A66 179-188 (2010)
abstract
Kaminski, R., T. Graber, J.B. Benedict, R. Henning, Y.-S Chen, S. Scheins, M. Messerschmidt, P. Coppens
Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography
J. Synchrotron Rad. 17 (4) 479-485 (2010)
abstract
M. Schmidt, T. Graber, R. Henning, V. Srajer
Five-dimensional crystallography
Acta Cryst. A66 198-206 (2010)
abstract
Trigo, M., J. Chen, V.H. Vishwanath, Y.M. Sheu, T. Graber, R. Henning, D.A. Reis
Imaging nonequilibrium atomic vibrations with x-ray diffuse scattering
Phys. Rev. B 82 (23) 235205 (2010)
abstract
2009
Bourgeois, D., M. Weik
Kinetic protein crystallography: A tool to watch proteins in action
Crystallography Reviews 15 (2), 87-118 (2009)
abstract
Coppens, P., M. Pitak, M. Gembicky, M. Messerschmidt, S. Scheins, J. Benedict, S. Adachi, T. Sato, S. Nozawa, K. Ichiyanagi, M. Chollet, S. Koshihara
The RATIO method for time-resolved Laue crystallography
J. Synchrotron Rad. 16 (2) (2009)
abstract
Knapp, J.E., R. Pahl, J. Cohen, J.C. Nichols, K. Schulten, Q.H. Gibson, V. Srajer, W.E. Royer Jr
Ligand migration and cavities within scapharca dimeric HbI: Studies by time-resolved crystallography, Xe binding and computational analysis
Structure 17 (11), 1494-1504 (2009)
abstract
Zhao, Y., M. Schmidt
New software for the singular value decomposition of time-resolved crystallographic data
J. Appl. Cryst. 42 (4), 734-740
(2009)
abstract
2008
Schmidt, M.
Structure-based kinetics by time-resolved X-ray crystallography
In Ultrashort Laser Pulses in Biology and Medicine (Markus Braun, Peter Gilch and Wolfgang Zinth, eds.), Springer Berlin Heidelberg, pp. 201-241 (2008)
abstract
Srajer, V., and W.E. Royer Jr.
Time-resolved X-ray crystallography of heme proteins
Methods Enzymol. 437: 379-395 (2008)
abstract
2007
Key J, Srajer V, Pahl R and Moffat K.
Time-Resolved Crystallographic Studies of the Heme Domain of the Oxygen Sensor FixL: Structural Dynamics of Ligand Rebinding and Their Relation to Signal Transduction
Biochemistry 46 (16): 4706-4715 (2007)
abstract
Pearson AR, Pahl R, Kovaleva EG, Davidson VL and Wilmot CM.
Tracking X-ray-derived redox changes in crystals of a methylamine dehydrogenase/amicyanin complex using single-crystal UV/Vis microspectrophotometry.
Journal of Synchrotron Radiation 14 (1): 92-98 (2007)
abstract
2006
Knapp, James E., Reinhard Pahl, Vukica Srajer, William E. Royer
Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
PNAS 103 (20) 7649-7654 (2006)
abstract
K. Moffat
Laue Crystallography: Time Resolved Studies in
International Tables for X-Ray Crystallography, Volume F: Crystallography of Biological Macromolecules, edited by M. G. Rossmann and E. Arnold. Ch. 8.2, p. 167-176 (2006)
more information
2005
Ihee H, Rajagopal S, Srajer V, Pahl R, Anderson S, Schmidt M, Schotte F, Anfinrud PA, Wulff M, Moffat K.
Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
PNAS 102: 7145-7150 (2005)
abstract
Marius Schmidt, Karin Nienhaus, Reinhard Pahl, Angela Krasselt, Spencer Anderson, Fritz Parak, G. Ulrich Nienhaus, Vukica Srajer
Ligand migration pathway and protein dynamics in myoglobin: A time-resolved crystallographic study on L29W MbCO
PNAS 102 (33) 11704-11709 (2005)
abstract
M. Schmidt, H. Ihee, R. Pahl and V. rajer
Protein-ligand interactions probed by time-resolved crystallography.
In Protein-Ligand Interactions:
Methods and Applications (G. U. Nienhaus, ed.), Methods in Molecular Biology, vol. 305,
Humana Press, Totawa, NJ, pp. 115-154 (2005)
abstract
Sudarshan Rajagopal, Spencer Anderson, Vukica Srajer, Marius Schmidt, Reinhard Pahl, Keith Moffat
A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure 13 (1) 55-63 (2005)
abstract
2004
S. Anderson, V. Srajer, R. Pahl, S. Rajagopal, F. Schotte, P. Anfinrud, M. Wulff, K. Moffat
Chromophore Conformation and the Evolution of Tertiary Structural Changes in Photoactive Yellow Protein.
Structure 12 (6) 1039-1045 (2004)
abstract
Baxter, R. H. G., Ponomarenko, N., Srajer, V., Pahl, R., Moffat, K. and Norris, J. R.
Time-resolved crystallographic studies of light-induced structural changes in the photosynthetic reaction center.
PNAS 101 (16) 5982-5987 (2004)
abstract
James E. Knapp, Vukica Srajer, Reinhard Pahl, William E. Royer, Jr
Immobilization of Scapharca HbI crystals improves data quality in time-resolved crystallographic experiments.
Micron 35 107-108 (2004)
abstract
S. Rajagopal, K. Kostov, K. Moffat
Analytical trapping: Extraction of time-independent structures from time-dependent crystallographic data.
J. Struct. Biol. 147 (3) 211-222 (2004)
abstract
Rajagopal, S., Schmidt, M., Anderson, S., Ihee, H. and Moffat, K.
Analysis of experimental time-resolved crystallographic data by singular value decomposition.
Acta Cryst. D60 (5) 860-871 (2004)
abstract
Schmidt, M., Pahl, R., Srajer, V., Anderson, S., Ren, Z., Ihee, H., Rajagopal, S. and Moffat, K.
Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data.
PNAS 101 (14) 4799-4804 (2004)
abstract
2003
Moffat K.
The frontiers of time-resolved macromolecular crystallography: movies and chirped X-ray pulses.
Faraday Discuss. 122: 65-77 (2003)
abstract
Schmidt, M., Rajagopal, S., Ren, Z., and Moffat, K.
Application of singular value decomposition to the analysis of time-resolved macromolecular x-ray data.
Biophysical Journal 84: 2112-29 (2003)
abstract
2001
Moffat, K.
Time-resolved Biochemical Crystallography: A Mechanistic Perspective.
Chem. Revs. 101: 1569-1581 (2001)
abstract
Ren Z., Perman B., Srajer V., Teng T-.Y., Pradervand C., Bourgeois D., Schotte F., Ursby T., Kort R., Wulff M., and Moffat K.
A Molecular Movie at 1.8 Å Resolution Displays the Photocycle of Photoactive Yellow Protein, a Eubacterial Blue-Light Receptor,
from Nanoseconds to Seconds.
Biochemistry 40: 13788-13801 (2001)
abstract
Srajer V., Ren Z., Teng T-.Y., Schmidt M., Ursby T., Bourgeois D., Pradervand C., Schildkamp W., Wulff M., and Moffat K.
Protein Conformational Relaxation and Ligand Migration in Myoglobin: A Nanosecond to Millisecond Molecular Movie from Time-Resolved Laue X-ray Diffraction.
Biochemistry 40: 13802-13815 (2001)
abstract
2000
Moffat K., Chengeux J-.P., Crothers D.M., Grubmuller H., Nienhaus G.U., Palma M.U., Parak F.G., Schulten K., and Warshel A.
How Does Complexity Lead to an Apparently Simple Function?
In "Dahlem Workshop on Simplicity and Complexity in Proteins and Nucleic Acids". Ed. H. Frauenfelder, J. Deisenhofer and P.G. Wolynes (2000)
Moffat, K.
Nanosecond Time-resolved X-ray Crystallography.
Trans. Amer. Cryst. Assoc. 34: 39-42 (2000)
Schotte F., Techert S., Anfinrud P. Srajer V., Moffat K., and Wulff, M.
Recent Advances in the Generation of Pulsed Synchrotron Radiation Suitable for Picosecond Time-resolved X-ray Studies.
In "Handbook on synchrotron radiation, Volume IV. Ed. D. Mills (2000)
Srajer V., Crosson S., Schmidt M., Key J., Schotte F., Anderson S., Perman B., Ren, Z., Teng T-.Y., Bourgeois D., Wulff M., and Moffat K.
Extraction of Accurate Structure Factor Amplitudes from Laue Data: Wavelength Normalization with Wiggler and Undulator X-Ray Sources.
Journal of Synchrotron Radiation 7: 236-244 (2000)
abstract
Pre-2000
Ren Z., Bourgeois D., Helliwell J.R., Moffat K., Srajer V., and Stoddard B.L.
Laue Crystallography: Coming of Age.
Journal of Synchrotron Radiation 6: 891-917 (1999)
abstract
Moffat K.
Time-resolved Crystallography.
Acta Cryst. A 54:833-41 (1998)
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Moffat K.
Ultrafast Time-resolved Crystallography.
Nature Structural Biology 5 Suppl:641-3 (1998)
Perman B., Srajer V., Ren Z., Teng T-.Y., Pradervand C., Ursby T., Bourgeois D., Schotte F., Wulff M., Kort R., Hellingwerf K., and Moffat K.
Energy Transduction on the Nanosecond Time Scale: Early Structural Events in a Xanthopsin Photocycle
Science 279:1946-50 (1998)
abstract
Yang X., Ren Z., and Moffat K.
Structure Refinement Against Synchrotron Laue Data: Strategies for Data Collection and Reduction.
Acta Cryst. D 54:367-77 (1998)
abstract
Genick U.K., Borgstahl G.E., Ng K., Ren Z., Pradervand C., Burke P.M., Srajer V., Teng T-.Y., Schildkamp W., McRee D.E., Moffat K., and Getzoff E.D.
Structure of a protein photocycle intermediate by millisecond time-resolved crystallography.
Science 275:1471-5 (1997)
abstract
Moffat K., and Ren Z.
Synchrotron Radiation Applications to Macromolecular Crystallography.
Current Opinion in Structural Biology 7:689-96 (1997)
abstract
Moffat K.
Laue Diffraction.
Methods in Enzymology 277:433-47 (1997)
Wulff M., Schotte F., Naylor G., Bourgeois D., Moffat K., and Mourou G.
Time-Resolved Structures of Macromolecules at the ESRF: Single-Pulse Laue Diffraction, Stroboscopic Data Collection and Femtosecond Flash Photolysis.
Nucl. Instrum. and Meth. A398: 69-84 (1997)
Bourgeois D., Ursby T., Wulff M., Pradervand C., LeGrand A., Schildkamp W., Laboure S., Srajer V., Teng T-.Y., Roth M., and Moffat K.
Feasibility and Realization of Single-Pulse Laue Diffraction on Macromolecular Crystals at ESRF.
J. Synchrotron Rad. 3:65-74 (1996)
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Moffat K.
Time-Resolved Macromolecular Crystallography.
Synch. Rad. News 9:15-18 (1996)
Ren Z., Ng K., Borgstahl G.E.O., Getzoff E.D., and Moffat K.
Quantitative Analysis of Time-Resolved Laue Diffraction Patterns.
J. Appl. Cryst. 29:246-260 (1996)
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Srajer V., Teng T-.Y., Ursby T., Pradervand C., Ren Z., Adachi S., Schildkamp W., Bourgeois D., Wulff M., and Moffat K.
Photolysis of the Carbon Monoxide Complex of Myoglobin: Nanosecond Time-resolved Crystallography.
Science 274:1726-9 (1996).
abstract
Bourgeois D, Ursby T, Wulff M, Pradervand C, Srajer V, LeGrand S, Schildkamp W, Laboure S, Rubin C, Teng TY, Roth M, Moffat K.
Single Pulse Laue Images from Macromolecular Crystals
recorded at ESRF. In "Time-Resolved Electron and X-Ray Diffraction"
(Ed. P.M. Rentzepis) Proc. SPIE 2521:178-181 (1995)
Ren Z., and Moffat K.
Deconvolution of Energy Overlaps in Laue Diffraction.
J. Appl. Cryst. 28:482-493 (1995)
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Ren Z., and Moffat K.
Quantitative Analysis of Synchrotron Laue Diffraction Patterns in Macromolecular Crystallography.
J. Appl. Cryst. 28:461-481 (1995)
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