8EZ5
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE MFX |
Synchrotron site | SLAC LCLS |
Beamline | MFX |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2018-11-27 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.302 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.958, 221.646, 307.786 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.650 - 2.090 |
R-factor | 0.1866 |
Rwork | 0.186 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7rf1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.151 |
Data reduction software | cctbx.xfel |
Data scaling software | cctbx.xfel.merge |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.650 | 2.130 |
High resolution limit [Å] | 2.090 | 2.090 |
Number of reflections | 468875 | 23274 |
<I/σ(I)> | 3.6 | 0.38 |
Completeness [%] | 100.0 | |
Redundancy | 81.04 | 9.7 |
CC(1/2) | 0.990 | 0.050 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.5 | 298 | 0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000 |