8JC3
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
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 | 58.556, 147.580, 64.598 |
| Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
| Resolution | 45.420 - 1.820 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.732 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.790 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.094 | 0.496 |
| Rmeas | 0.113 | 0.602 |
| Rpim | 0.061 | 0.338 |
| Total number of observations | 309235 | 41004 |
| Number of reflections | 93769 | 13895 |
| <I/σ(I)> | 8 | 2.5 |
| Completeness [%] | 97.5 | |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.990 | 0.757 |
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 |
