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 |