7M78
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
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 | 2019-02-22 |
| Detector | MPCCD |
| Wavelength(s) | 1.181 |
| Spacegroup name | P 63 |
| Unit cell lengths | 284.864, 284.864, 166.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.630 - 3.000 |
| R-factor | 0.3339 |
| Rwork | 0.334 |
| R-free | 0.34980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jb0 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.660 |
| Data reduction software | cctbx.xfel |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.630 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 152883 | 7619 |
| <I/σ(I)> | 3.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 282.5 | |
| CC(1/2) | 0.893 | 0.098 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 298 | 5 mM MES, pH 6.0, 12 mM sodium sulfate, 0.2% beta-dodecyl maltoside |
