2P85
Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations
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 | 2005-04-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 121.320, 110.280, 142.000 |
| Unit cell angles | 90.00, 110.28, 90.00 |
Refinement procedure
| Resolution | 29.340 - 2.350 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1suo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 142896 | |
| <I/σ(I)> | 14.5 | 2.9 |
| Completeness [%] | 97.3 | |
| Redundancy | 4.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium Sulfate, Hepes, PEG 2000 monomethyl ether , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
