3WRK
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 | 2013-01-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.339, 93.188, 73.828 |
| Unit cell angles | 90.00, 89.92, 90.00 |
Refinement procedure
| Resolution | 39.403 - 2.609 |
| R-factor | 0.1769 |
| Rwork | 0.174 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l62 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.765 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.103 | 0.330 |
| Number of reflections | 24893 | |
| <I/σ(I)> | 14.7 | 6.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.7 |
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, 0.00025mM Camphor, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
