5UEC
Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.247, 77.247, 202.792 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.550 - 2.270 |
| R-factor | 0.17686 |
| Rwork | 0.174 |
| R-free | 0.22893 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i91 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.861 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.590 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.110 | 0.520 |
| Number of reflections | 33225 | |
| <I/σ(I)> | 10.2 | 6.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.3 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M Magnesium acetate tetrahydrate 25%w/v PEG3350 |
