9L7Q
Crystal structure of P450cam-F87R mutant
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 21 1 |
| Unit cell lengths | 58.059, 100.582, 72.952 |
| Unit cell angles | 90.00, 109.81, 90.00 |
Refinement procedure
| Resolution | 28.650 - 1.820 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.981 |
| 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] | 56.690 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.049 | 0.447 |
| Rmeas | 0.060 | 0.552 |
| Rpim | 0.033 | 0.318 |
| Total number of observations | 185987 | 14340 |
| Number of reflections | 61407 | 5413 |
| <I/σ(I)> | 12.6 | 1.9 |
| Completeness [%] | 87.5 | |
| Redundancy | 3 | 2.6 |
| CC(1/2) | 0.998 | 0.847 |
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 |
