6M4Q
Cytochrome P450 monooxygenase StvP2 substrate-free structure
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 | 2019-11-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.073, 145.716, 90.447 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.350 |
| Rwork | 0.139 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oqr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.437 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17-3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.840 | 1.398 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.075 | 1.145 |
| Rmeas | 0.078 | 1.207 |
| Rpim | 0.022 | 0.372 |
| Number of reflections | 88940 | |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 99.9 | 97.48 |
| Redundancy | 12.8 | 10.1 |
| CC(1/2) | 0.999 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Salt: 0.17M Ammonium acetate Buffer: 0.085M Sodium citrate tribasic dihydrate pH5.6 Precipitant: 24%w/v polyethylene glycol 4000 15% gly |
