2PG6
Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.700, 158.245, 103.764 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.530 |
| R-factor | 0.239 |
| Rwork | 0.209 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | coumarin complex of CYP2A6 PDB entry 1Z10 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.096 | 0.238 |
| Number of reflections | 70956 | |
| <I/σ(I)> | 8.7 | 3.4 |
| Completeness [%] | 94.0 | 88.3 |
| Redundancy | 3.1 | 2.2 |
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 |
