9U7X
Crystal structure of the CYP105D18 mutant F191A from Streptomyces laurentii
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 | 2024-06-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.154, 52.109, 87.412 |
| Unit cell angles | 90.00, 110.72, 90.00 |
Refinement procedure
| Resolution | 40.880 - 1.450 |
| R-factor | 0.1491 |
| Rwork | 0.149 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.898 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.760 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.086 | 0.280 |
| Rmeas | 0.095 | 0.335 |
| Rpim | 0.038 | 0.179 |
| Total number of observations | 384717 | 15117 |
| Number of reflections | 67661 | 4668 |
| <I/σ(I)> | 11.8 | 4.2 |
| Completeness [%] | 99.4 | |
| Redundancy | 5.7 | 3.2 |
| CC(1/2) | 0.989 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.15M ammonium sulfate, 0.1M Bis-tris PH 6.5, 23% PEG3350 |
