8HOO
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap
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 | 58.913, 147.188, 64.520 |
| Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
| Resolution | 54.240 - 1.860 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.687 |
| 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] | 54.240 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.064 | 0.493 |
| Rmeas | 0.081 | 0.644 |
| Rpim | 0.049 | 0.409 |
| Total number of observations | 192230 | 22952 |
| Number of reflections | 81830 | 10299 |
| <I/σ(I)> | 7.7 | 2.3 |
| Completeness [%] | 89.8 | |
| Redundancy | 2.3 | 2.2 |
| CC(1/2) | 0.996 | 0.600 |
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 |
