4ZFB
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
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 | 55.679, 55.679, 707.577 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 117.929 - 2.840 |
R-factor | 0.2207 |
Rwork | 0.218 |
R-free | 0.27410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3npl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.785 |
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] | 177.810 | 2.920 |
High resolution limit [Å] | 2.770 | 2.770 |
Rmerge | 0.070 | 0.323 |
Number of reflections | 18183 | |
<I/σ(I)> | 17.7 | 3.4 |
Completeness [%] | 97.2 | 80.6 |
Redundancy | 7.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 17.5mM NiCl2, 50mM PEG MME 2000 |