5IUT
STRUCTURE OF P450 2B4 F202W MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-25 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.165, 91.165, 151.137 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.340 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| Data reduction software | autoXDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.030 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.118 | 0.460 |
| Number of reflections | 30766 | |
| <I/σ(I)> | 7.3 | 1.4 |
| Completeness [%] | 97.0 | 70.4 |
| Redundancy | 6.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 20% PEG 4000, 0.1M CITRATE, 10% 2- PROPANOL, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |
