6DHG
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 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 | 2017-07-13 |
Detector | RAYONIX MX170-HS |
Wavelength(s) | 1.305 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.553, 222.695, 309.061 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.783 - 2.500 |
R-factor | 0.168 |
Rwork | 0.167 |
R-free | 0.24640 |
Data reduction software | cctbx.xfel |
Phasing software | PHASER |
Refinement software | PHENIX (dev_svn) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.780 | 30.780 | 2.543 |
High resolution limit [Å] | 2.500 | 6.786 | 2.500 |
Number of reflections | 279073 | ||
<I/σ(I)> | 11.143 | 71.486 | 0.983 |
Completeness [%] | 99.9 | 98.67 | 99.99 |
Redundancy | 61.41 | 185.03 | 12.86 |
CC(1/2) | 0.938 | 0.953 | 0.068 |
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 |