9W5T
The complex structure of wild-type P450 enzyme with cww
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 | 2024-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.962 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 89.840, 89.840, 267.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.460 - 2.500 |
| R-factor | 0.2572 |
| Rwork | 0.255 |
| R-free | 0.29570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.183 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.640 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.097 | 1.009 |
| Number of reflections | 23092 | 2501 |
| <I/σ(I)> | 29.8 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 38.1 | 39.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.1M Tris-HCl, 0.2M ammonium acetate, 25% PEG3350.PH 8.5 |
