7M76
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 | PAL-XFEL BEAMLINE NCI |
| Synchrotron site | PAL-XFEL |
| Beamline | NCI |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2019-06-24 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.277 |
| Spacegroup name | P 63 |
| Unit cell lengths | 284.269, 284.269, 165.746 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.230 - 3.000 |
| R-factor | 0.2681 |
| Rwork | 0.268 |
| R-free | 0.27830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jb0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.076 |
| Data reduction software | cctbx.xfel |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.230 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 147785 | 7378 |
| <I/σ(I)> | 1.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 32 | |
| CC(1/2) | 0.904 | 0.310 |
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 |
