6W1Q
RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
This is a non-PDB format compatible entry.
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 | 2018-11-28 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.30196 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.068, 222.051, 308.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.450 - 2.270 |
R-factor | 0.1784 |
Rwork | 0.178 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dhe |
RMSD bond length | 0.016 |
RMSD bond angle | 1.623 |
Data reduction software | cctbx.xfel |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.450 | 2.310 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 367301 | 17756 |
<I/σ(I)> | 11.8 | |
Completeness [%] | 99.6 | |
Redundancy | 55.8 | |
CC(1/2) | 0.967 | 0.047 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000 |