3AWQ
Cytochrome P450SP alpha (CYP152B1) mutant L78F
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 | 94.137, 94.137, 113.402 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.980 - 1.900 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.18770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3awm |
RMSD bond length | 0.014 |
RMSD bond angle | 1.295 |
Data reduction software | HKL-2000 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.075 | 0.061 | 0.380 |
Number of reflections | 46225 | ||
<I/σ(I)> | 16.9 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 10.7 | 9.6 | 11 |
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 |