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 |