6DHH
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 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 | 117.691, 222.529, 308.514 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.851 - 2.200 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.26430 |
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] | 30.850 | 30.850 | 2.238 |
High resolution limit [Å] | 2.200 | 5.972 | 2.200 |
Number of reflections | 407641 | ||
<I/σ(I)> | 10.602 | 81.921 | 0.707 |
Completeness [%] | 100.0 | 99.1 | 99.99 |
Redundancy | 133.39 | 555.29 | 13.8 |
CC(1/2) | 0.960 | 0.971 | 0.006 |
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 |