4EJG
Human Cytochrome P450 2A13 in complex with Nicotine
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 | PIXEL |
| Collection date | 2010-07-03 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.657, 120.324, 153.731 |
| Unit cell angles | 100.62, 101.82, 93.73 |
Refinement procedure
| Resolution | 102.580 - 2.500 |
| R-factor | 0.228 |
| Rwork | 0.224 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z10 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.692 |
| 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] | 117.590 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.067 | 0.450 |
| Number of reflections | 164366 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 96.7 | 88.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 298 | 30% PEG 3350, 0.175 M Tris, and 0.2 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
