9WMB
crystal structure of a P450 BM3 heme domain mutant in complex with Zearalenone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.843, 145.286, 61.904 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 24.760 - 1.800 |
| R-factor | 0.15453 |
| Rwork | 0.153 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.810 |
| 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] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.037 | 0.089 |
| Number of reflections | 85559 | 8565 |
| <I/σ(I)> | 26.4 | |
| Completeness [%] | 90.8 | |
| Redundancy | 3.3 |
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 |
