9W6B
CRYSTAL STRUCTURE OF A CYP168A1
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 | 2023-11-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.305, 76.077, 88.281 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.330 - 2.420 |
| R-factor | 0.2118 |
| Rwork | 0.210 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.651 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Number of reflections | 15858 | 2543 |
| <I/σ(I)> | 10.5 | 1.2 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 13.6 | 12.5 |
| CC(1/2) | 0.995 | 0.345 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M AMINO ACIDS, 0.1M BUFFER SYSTEM1 PH6.5, 18% EG, 12% PEG8000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
