8IRB
XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2020-07-07 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.24 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 125.750, 231.600, 288.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.300 |
R-factor | 0.1414 |
Rwork | 0.139 |
R-free | 0.18040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.290 |
Data reduction software | cctbx.xfel |
Data scaling software | cxi.merge |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.450 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 370203 | 18515 |
<I/σ(I)> | 48.5 | |
Completeness [%] | 100.0 | |
Redundancy | 237.9 | |
CC(1/2) | 0.991 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6 | 293 | 5.5% PEG1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM Mes BUFFER |