3WRI
Crystal structure of P450cam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-17 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.440, 74.227, 92.636 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 46.318 - 2.900 |
| R-factor | 0.1935 |
| Rwork | 0.190 |
| R-free | 0.26750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l62 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.838 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.099 | 0.426 |
| Number of reflections | 18663 | |
| <I/σ(I)> | 14.8 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 279 | 50mM Tris-HCl, 200mM KCl,20-30% PEG 4000, 0.001mM Camphor, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
