3VRM
Structure of cytochrome P450 Vdh mutant T107A with bound vitamin D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.421, 105.521, 141.988 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.570 |
| R-factor | 0.18906 |
| Rwork | 0.187 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a50 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.934 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.720 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.048 | 0.557 |
| Number of reflections | 14156 | |
| <I/σ(I)> | 24.2 | 3.05 |
| Completeness [%] | 98.6 | 92.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 21% PEG 3350, 0.2M NaCl, 0.1M bis-tris, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
