6DHE
RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 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 | 2016-07-14 |
Detector | RAYONIX MX170-HS |
Wavelength(s) | 1.305 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 116.906, 221.407, 308.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.552 - 2.050 |
R-factor | 0.1851 |
Rwork | 0.185 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kaf |
Data reduction software | cctbx.xfel |
Phasing software | PHASER (dev_svn) |
Refinement software | PHENIX (dev_svn) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.550 | 30.550 | 2.085 |
High resolution limit [Å] | 2.050 | 5.565 | 2.050 |
Number of reflections | 497372 | ||
<I/σ(I)> | 16.581 | 132.601 | 0.53 |
Completeness [%] | 100.0 | 99.24 | 99.95 |
Redundancy | 245.79 | 896.6 | 12.58 |
CC(1/2) | 0.987 | 0.993 | 0.018 |
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 |
1 | BATCH MODE | 6.5 | 298 | 0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000 |
1 | BATCH MODE | 6.5 | 298 | 0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000 |