13CH
RT XFEL structure of one-flash state of Photosystem II (1F, S2 rich) at 2.02 Angstrom
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 | 2018-05-27 |
| Detector | RAYONIX MX170-HS |
| Wavelength(s) | 1.300 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.544, 222.872, 309.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.140 - 2.020 |
| R-factor | 0.1735 |
| Rwork | 0.173 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.510 |
| Data reduction software | DIALS |
| Data scaling software | cctbx.xfel.merge |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.140 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 527653 | 25712 |
| <I/σ(I)> | 17.273 | |
| Completeness [%] | 99.9 | |
| Redundancy | 187.62 | |
| CC(1/2) | 0.990 | 0.086 |
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 |
