6DHP
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 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 | 116.860, 221.188, 307.559 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.005 - 2.040 |
R-factor | 0.1869 |
Rwork | 0.186 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kaf |
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] | 31.000 | 31.000 | 2.075 |
High resolution limit [Å] | 2.040 | 5.537 | 2.040 |
Number of reflections | 502298 | ||
<I/σ(I)> | 16.998 | 135.078 | 0.554 |
Completeness [%] | 100.0 | 99.26 | 99.97 |
Redundancy | 225.67 | 834.73 | 12.9 |
CC(1/2) | 0.986 | 0.988 | 0.008 |
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 |