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 |
