8HOS
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.436, 147.341, 64.260 |
| Unit cell angles | 90.00, 99.71, 90.00 |
Refinement procedure
| Resolution | 46.720 - 1.820 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.765 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.670 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.058 | 0.389 |
| Rmeas | 0.070 | 0.471 |
| Rpim | 0.038 | 0.263 |
| Total number of observations | 308700 | 40667 |
| Number of reflections | 94570 | 13817 |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 98.8 | |
| Redundancy | 3.3 | 2.9 |
| CC(1/2) | 0.997 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350 |
