3AWP
Cytochrome P450SP alpha (CYP152B1) mutant F288G
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-23 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 94.580, 94.580, 113.449 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.670 - 1.800 |
R-factor | 0.1616 |
Rwork | 0.160 |
R-free | 0.19040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3awm |
RMSD bond length | 0.012 |
RMSD bond angle | 1.199 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.062 | 0.051 | 0.349 |
Number of reflections | 54812 | ||
<I/σ(I)> | 17.3 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 10.6 | 9.6 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 50mM HEPES, 17.5% MPD, 25mM MES, 10% glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |