3CV8
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84F mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-06-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.500, 53.384, 138.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.18356 |
| Rwork | 0.181 |
| R-free | 0.22992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zbz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.271 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.073 | |
| Number of reflections | 27037 | |
| <I/σ(I)> | 23.1 | 8.3 |
| Completeness [%] | 99.4 | 98.2 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 283 | 16% PEGMME 2000, 10% MPD, 0.1M Bis-tris, 0.2M sodium chloride, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
