9BFO
BCAT mutant 36E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-12 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.962, 106.896, 110.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.822 - 1.663 |
| Rwork | 0.205 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.873 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.822 | 1.692 |
| High resolution limit [Å] | 1.663 | 1.663 |
| Rmerge | 0.148 | |
| Rpim | 0.045 | |
| Number of reflections | 992392 | 53438 |
| <I/σ(I)> | 9.5 | 0.5 |
| Completeness [%] | 92.8 | |
| Redundancy | 11.4 | |
| CC(1/2) | 0.986 | 0.294 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 18% PEG 3350, 200 mM MgCl2 |
