5GNL
Cytochrome P450 Vdh (CYP107BR1) F106V mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-11 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 31 |
| Unit cell lengths | 61.670, 61.670, 98.166 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.20129 |
| Rwork | 0.200 |
| R-free | 0.23416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a4g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.536 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.949 |
| Number of reflections | 30377 | |
| <I/σ(I)> | 46 | 3.7 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 8.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Bis-tris, 25-75 mM NaCl, 50 mM CaCl2, 38-42% PEG400 |
