9WMC
Crystal structure of a P450 BM3 heme domain mutant in complex with Alpha-Zearalanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-25 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.544, 146.832, 62.683 |
| Unit cell angles | 90.00, 97.99, 90.00 |
Refinement procedure
| Resolution | 34.950 - 2.090 |
| R-factor | 0.17972 |
| Rwork | 0.178 |
| R-free | 0.21977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.565 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.950 | 2.120 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.103 | 0.486 |
| Number of reflections | 61854 | 2505 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350 |
