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 |
