3T3S
Human Cytochrome P450 2A13 in complex with Pilocarpine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-28 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 |
Unit cell lengths | 71.501, 119.862, 154.871 |
Unit cell angles | 101.01, 101.72, 93.59 |
Refinement procedure
Resolution | 102.880 - 3.000 |
R-factor | 0.218 |
Rwork | 0.213 |
R-free | 0.30300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fdv |
RMSD bond length | 0.017 |
RMSD bond angle | 1.786 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (6.1.13) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.117 | 0.635 |
Number of reflections | 96716 | |
<I/σ(I)> | 9.4 | 2.1 |
Completeness [%] | 98.3 | 97.9 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 30% PEG 3350, 0.175 M Tris, pH 8.5, and 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |