8F4C
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.00 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2019-07-13 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.241 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.328, 222.786, 309.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.000 |
| R-factor | 0.1802 |
| Rwork | 0.180 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7rf1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.156 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.xfel.merge |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 543134 | 26980 |
| <I/σ(I)> | 4.17 | 0.41 |
| Completeness [%] | 99.9 | |
| Redundancy | 160.3 | 17.9 |
| CC(1/2) | 0.990 | 0.040 |
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 |
