3VTJ
Cytochrome P450SP alpha (CYP152B1) mutant A245H
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 | 2012-01-27 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 94.558, 94.558, 114.183 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.940 - 2.560 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3awm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.612 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.650 |
| High resolution limit [Å] | 2.560 | 5.510 | 2.560 |
| Rmerge | 0.110 | 0.090 | 0.350 |
| Number of reflections | 19489 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 10.4 | 9.1 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 50mM HEPES, 17.5% MPD, 25mM MES, 10% glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
