9BW8
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Fluorinated Biarylitide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.915, 94.152, 105.003 |
| Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
| Resolution | 46.730 - 1.860 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.730 | 1.924 |
| High resolution limit [Å] | 1.858 | 1.858 |
| Rmerge | 0.054 | 0.775 |
| Rpim | 0.031 | 0.448 |
| Number of reflections | 103651 | 10268 |
| <I/σ(I)> | 11.17 | 1.83 |
| Completeness [%] | 98.9 | 97.99 |
| Redundancy | 3.9 | 3.9 |
| CC(1/2) | 0.999 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.1 M MES pH 6.5, 12% PEG400 and 14% PEG 20K |
