9L7R
Crystal structure of P450cam-F87R 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 BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.487, 62.073, 96.128 |
| Unit cell angles | 79.24, 80.85, 75.42 |
Refinement procedure
| Resolution | 29.820 - 2.040 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.779 |
| 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] | 59.360 | 2.150 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.030 | 0.288 |
| Rmeas | 0.043 | 0.407 |
| Rpim | 0.030 | 0.288 |
| Total number of observations | 83673 | 12541 |
| Number of reflections | 47126 | 7019 |
| <I/σ(I)> | 13.4 | 2.6 |
| Completeness [%] | 92.7 | |
| Redundancy | 1.8 | 1.8 |
| CC(1/2) | 0.999 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.04 M citric acid,0.06 M bis-tris, pH6.4, 24% PEG3350 |
