6W1V
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 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 | 2018-11-28 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.30192 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.958, 221.646, 307.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.650 - 2.090 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dhe |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.539 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cxi.merge |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.650 | 2.220 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 468019 | |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 298 | 0.1 M MES pH 6.5, 0.1 M NH4Cl, 35% (w/v) PEG 5000 |
