4ZF6
Cytochrome P450 pentamutant from BM3 with bound PEG
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 | 56.047, 56.047, 711.229 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.269 - 2.773 |
| R-factor | 0.2037 |
| Rwork | 0.201 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3npl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.947 |
| 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 |
