7F3H
Crystal structure of cytochrome P450DA 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 | 2020-10-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 426.301, 62.799, 95.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.500 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zoa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.587 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.198 | 0.798 |
| Rpim | 0.074 | 0.273 |
| Number of reflections | 80038 | 3685 |
| <I/σ(I)> | 10.9 | 3 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES 6.5, 8 % w/v Polyethylene glycol 8000 |
