5OER

Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns

Summary for 5OER

• Entry DOI: 10.2210/pdb5oer/pdb
• Descriptor: Lysozyme C, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, ... (5 entities in total)
• Functional Keywords: free-electron laser, experimental phasing, multiwavelength anomalous dispersion, hydrolase
• Biological source: Gallus gallus (Chicken)
• Total number of polymer chains: 1
• Total formula weight: 15477.57

Authors

Gorel, A.,Schlichting, I. (deposition date: 2017-07-09, release date: 2017-10-25, Last modification date: 2024-10-23)

Primary citation

Gorel, A.,Motomura, K.,Fukuzawa, H.,Doak, R.B.,Grunbein, M.L.,Hilpert, M.,Inoue, I.,Kloos, M.,Kovacsova, G.,Nango, E.,Nass, K.,Roome, C.M.,Shoeman, R.L.,Tanaka, R.,Tono, K.,Joti, Y.,Yabashi, M.,Iwata, S.,Foucar, L.,Ueda, K.,Barends, T.R.M.,Schlichting, I.
Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability.
Nat Commun, 8:1170-1170, 2017

PubMed Abstract: Serial femtosecond crystallography at X-ray free-electron lasers (XFELs) offers unprecedented possibilities for macromolecular structure determination of systems prone to radiation damage. However, de novo structure determination, i.e., without prior structural knowledge, is complicated by the inherent inaccuracy of serial femtosecond crystallography data. By its very nature, serial femtosecond crystallography data collection entails shot-to-shot fluctuations in X-ray wavelength and intensity as well as variations in crystal size and quality that must be averaged out. Hence, to obtain accurate diffraction intensities for de novo phasing, large numbers of diffraction patterns are required, and, concomitantly large volumes of sample and long X-ray free-electron laser beamtimes. Here we show that serial femtosecond crystallography data collected using simultaneous two-colour X-ray free-electron laser pulses can be used for multiple wavelength anomalous dispersion phasing. The phase angle determination is significantly more accurate than for single-colour phasing. We anticipate that two-colour multiple wavelength anomalous dispersion phasing will enhance structure determination of difficult-to-phase proteins at X-ray free-electron lasers.

PubMed: 29079797
DOI: 10.1038/s41467-017-00754-7

Experimental method

X-RAY DIFFRACTION (1.9 Å)