4ZV8
Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.240, 77.240, 204.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.080 - 2.240 |
| R-factor | 0.17215 |
| Rwork | 0.169 |
| R-free | 0.23218 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i91 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.992 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.080 | 2.370 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.113 | |
| Number of reflections | 33577 | |
| <I/σ(I)> | 7.9 | 3.1 |
| Completeness [%] | 97.0 | 88.4 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M HEPES sodium, pH 7.5, 20% w/v Polyethylene glycol 10,000 |
