5DYP
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.134, 118.448, 146.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.400 |
| R-factor | 0.2219 |
| Rwork | 0.220 |
| R-free | 0.25710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.228 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.980 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.517 |
| Number of reflections | 41881 | |
| <I/σ(I)> | 13.2 | 2.6 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 14% PEG 3350, 100 mM cacodylic acid pH 5.5-6.8, 100-160 mM MgCl2 |
