6HQD
Cytochrome P450-153 from Pseudomonas sp. 19-rlim
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 | 2017-11-03 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.311, 96.642, 87.777 |
| Unit cell angles | 90.00, 119.18, 90.00 |
Refinement procedure
| Resolution | 44.000 - 1.800 |
| R-factor | 0.17133 |
| Rwork | 0.170 |
| R-free | 0.20011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rwl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.569 |
| 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] | 44.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 1.155 |
| Number of reflections | 116816 | 5829 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 6.7 | 6.9 |
| CC(1/2) | 0.999 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.2 M diammonium tartrate, 20% w/v PEG3350 |
