8HOU
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe
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 | 58.592, 147.608, 64.764 |
| Unit cell angles | 90.00, 100.03, 90.00 |
Refinement procedure
| Resolution | 57.700 - 1.750 |
| R-factor | 0.1878 |
| Rwork | 0.187 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.736 |
| 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] | 73.800 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.064 | 0.392 |
| Rmeas | 0.078 | 0.495 |
| Rpim | 0.044 | 0.298 |
| Total number of observations | 310683 | 39601 |
| Number of reflections | 106441 | 15642 |
| <I/σ(I)> | 10 | 2.5 |
| Completeness [%] | 98.6 | |
| Redundancy | 2.9 | 2.5 |
| CC(1/2) | 0.995 | 0.754 |
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 |
