3SWZ
Human Cytochrome P450 17A1 in complex with TOK-001
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 | 2011-06-18 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.415, 152.090, 167.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.080 - 2.400 |
R-factor | 0.226 |
Rwork | 0.223 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ruk |
RMSD bond length | 0.016 |
RMSD bond angle | 1.760 |
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] | 37.080 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 92007 | |
<I/σ(I)> | 13.1 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15 | 15.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 30% PEG 3350, 0.175 M Tris, 0.30 M ammonium sulfate, 3% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |