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 |