3A4H
Structure of cytochrome P450 vdh from Pseudonocardia autotrophica (orthorhombic crystal form)
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 | 2006-12-22 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.595, 65.793, 102.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.740 - 3.060 |
| R-factor | 0.21952 |
| Rwork | 0.217 |
| R-free | 0.26978 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a4g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.960 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.090 | 0.317 |
| Number of reflections | 8366 | |
| <I/σ(I)> | 18.9 | 6 |
| Completeness [%] | 97.6 | 97.9 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 26% PEG1000, 0.1M Bis-tris, pH7.5, 50mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
