3CV9
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3
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 | 2007-06-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.315, 53.659, 140.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.20177 |
| Rwork | 0.199 |
| R-free | 0.25347 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zbz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.554 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 45139 | |
| <I/σ(I)> | 28.8 | 5.1 |
| Completeness [%] | 98.5 | 87.1 |
| Redundancy | 7.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 283 | 26% PEGMME 2000, 0.1M Bis-tris, 0.2M sodium chlorife, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
