7F3W
Crystal structure of cytochrome P450DA mutant (N190F/V356L/A486E) heme domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 426.822, 63.896, 95.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 2.860 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zoa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.319 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.920 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Rmerge | 0.161 | 0.751 |
| Rpim | 0.068 | 0.342 |
| Number of reflections | 80451 | 2460 |
| <I/σ(I)> | 11 | 2.2 |
| Completeness [%] | 91.9 | |
| Redundancy | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES 6.0, 10 % w/v Polyethylene glycol 4000 |
