3WRJ
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 | 2013-01-01 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.885, 62.835, 95.731 |
Unit cell angles | 90.00, 90.83, 90.00 |
Refinement procedure
Resolution | 32.920 - 1.850 |
R-factor | 0.1752 |
Rwork | 0.173 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l63 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.638 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.124 | 0.386 |
Number of reflections | 67410 | |
<I/σ(I)> | 16.8 | 5.7 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 279 | 50mM Tris-HCl, 200mM KCl, 20-30% PEG 4000, 0.001mM Camphor, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 279K |