9L7V
Crystal structure of P450 BM3 F87A/V78G mutant complex with (-)-Ambroxide
This is a non-PDB format compatible entry.
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 | 2024-09-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.650, 148.300, 64.670 |
| Unit cell angles | 90.00, 100.12, 90.00 |
Refinement procedure
| Resolution | 28.220 - 2.020 |
| R-factor | 0.2327 |
| Rwork | 0.231 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.561 |
| 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] | 74.150 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.181 | 0.672 |
| Rmeas | 0.220 | 0.865 |
| Rpim | 0.123 | 0.537 |
| Total number of observations | 205806 | 11657 |
| Number of reflections | 68943 | 5012 |
| <I/σ(I)> | 5.8 | 2.1 |
| Completeness [%] | 97.2 | |
| Redundancy | 3 | 2.3 |
| CC(1/2) | 0.980 | 0.366 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, and 25% PEG 3350 |
