5GNM
Cytochrome P450 Vdh (CYP107BR1) L348M 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 | PIXEL |
| Collection date | 2014-12-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.220, 107.650, 88.360 |
| Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
| Resolution | 45.970 - 2.700 |
| R-factor | 0.22563 |
| Rwork | 0.223 |
| R-free | 0.27494 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a4g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.327 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.142 | 0.482 |
| Number of reflections | 41314 | |
| <I/σ(I)> | 8.4 | 3 |
| Completeness [%] | 98.8 | 99 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Bis-tris, 100 mM NaCl, 50 mM CaCl2, 22-24% PEG2000MME |
