1Z10
Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound
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 | 2004-03-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.615, 157.591, 103.541 |
| Unit cell angles | 90.00, 92.25, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1PQ2.pdb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.780 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.116 | 0.460 |
| Number of reflections | 174569 | |
| <I/σ(I)> | 22.4 | 2.1 |
| Completeness [%] | 98.6 | 97.6 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG3350, Tris, ammonium sulfate, Anapoe-X-405, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
