2PG5
Crystal Structure of Human Microsomal P450 2A6 N297Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.853, 157.972, 103.743 |
| Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.950 |
| R-factor | 0.233 |
| Rwork | 0.215 |
| R-free | 0.23900 |
| 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] | 35.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.089 | 0.383 |
| Number of reflections | 163342 | |
| <I/σ(I)> | 11.6 | 2.5 |
| Completeness [%] | 99.2 | 95.5 |
| Redundancy | 3.5 | 2.9 |
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 |
