9Z35
RT XFEL structure of two-flash state of Photosystem II (2F, S3 rich) at 1.93 Angstrom obtained from anomalous data at 9.5 keV
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 | 2024-05-15 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.30565 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.529, 222.818, 308.934 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.830 - 1.930 |
| R-factor | 0.1893 |
| Rwork | 0.189 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.xfel.merge |
| Phasing software | PHENIX |
| Refinement software | PHENIX (2.0_5848) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.830 | 1.963 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 1174348 | 55696 |
| <I/σ(I)> | 4.168 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.82 | |
| CC(1/2) | 0.991 | 0.058 |
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 |
