6HQG
Cytochrome P450-153 from Phenylobacterium zucineum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.966000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.464, 89.207, 201.820 |
| Unit cell angles | 90.00, 96.60, 90.00 |
Refinement procedure
| Resolution | 49.310 - 2.900 |
| R-factor | 0.21457 |
| Rwork | 0.212 |
| R-free | 0.27172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rwl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.449 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.310 | 3.020 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.162 | 0.857 |
| Number of reflections | 40389 | 4594 |
| <I/σ(I)> | 5.4 | 1.2 |
| Completeness [%] | 97.6 | 98.3 |
| Redundancy | 2.7 | 2.6 |
| CC(1/2) | 0.964 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 293 | 0.1 M sodium citrate, 1 M ammonium phosphate |
