2PG7
Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.889, 159.389, 104.101 |
| Unit cell angles | 90.00, 91.92, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.800 |
| R-factor | 0.275 |
| Rwork | 0.235 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | coumarin complex of CYP2A6 PDB entry 1Z10 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.257 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.630 |
| Total number of observations | 19268 | |
| Number of reflections | 56574 | |
| <I/σ(I)> | 4.5 | 1.2 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG3350, Tris, Ammonium sulfate, Anapoe-35, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
