6DHF
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 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 | 116.817, 220.888, 307.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.427 - 2.080 |
R-factor | 0.1891 |
Rwork | 0.189 |
R-free | 0.24750 |
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] | 30.430 | 30.430 | 2.116 |
High resolution limit [Å] | 2.080 | 5.646 | 2.080 |
Number of reflections | 472399 | ||
<I/σ(I)> | 14.999 | 120.472 | 0.533 |
Completeness [%] | 100.0 | 99.21 | 99.95 |
Redundancy | 211.04 | 748.25 | 12.11 |
CC(1/2) | 0.975 | 0.975 | 0.013 |
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 |