9SIG
XFEL structure of oxidised Ribonucleotide reductase R2a Y122F mutant from E. coli
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] | 297 |
| Detector technology | CCD |
| Collection date | 2024-06-12 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.262950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.960, 76.549, 145.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.430 - 1.900 |
| R-factor | 0.1519 |
| Rwork | 0.151 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.343 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cxi.merge |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.430 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 65872 | 3197 |
| <I/σ(I)> | 5.831 | |
| Completeness [%] | 99.9 | |
| Redundancy | 20 | |
| CC(1/2) | 0.980 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5.5 | 297 | 0.1M Bis-Tris pH 5.5, PEG 3350 25% |
