8U2M
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with 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 | 2021-01-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95365 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.674, 95.607, 105.763 |
| Unit cell angles | 90.00, 92.71, 90.00 |
Refinement procedure
| Resolution | 47.800 - 1.790 |
| R-factor | 0.2001 |
| Rwork | 0.199 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.678 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 1.854 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.072 | |
| Rpim | 0.072 | |
| Number of reflections | 114351 | 11205 |
| <I/σ(I)> | 4.96 | |
| Completeness [%] | 99.1 | 97.08 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.993 | 0.335 |
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 |
