5IUZ
STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 |
| Unit cell lengths | 91.610, 91.610, 150.931 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.730 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mvr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.747 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.600 | 2.790 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.105 | 0.438 |
| Number of reflections | 37793 | |
| <I/σ(I)> | 16.1 | 2.1 |
| Completeness [%] | 90.5 | 25 |
| Redundancy | 5.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 5% V/V TACSIMATE, PH 7.0, 0.1 M HEPES, PH 7.0, 10% V/V PEG5000 MME, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |
