4ZF8
Cytochrome P450 pentamutant from BM3 with bound Metyrapone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 55.899, 55.899, 711.033 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.410 - 2.766 |
R-factor | 0.2176 |
Rwork | 0.215 |
R-free | 0.26270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3npl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.793 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 177.760 | 2.920 |
High resolution limit [Å] | 2.766 | 2.766 |
Rmerge | 0.065 | 0.373 |
Number of reflections | 18059 | |
<I/σ(I)> | 18 | 2.4 |
Completeness [%] | 96.2 | 74.7 |
Redundancy | 7.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG MME 2000, NiCl2 |