3RUK
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
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 | 2010-11-26 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.813, 152.098, 172.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.490 - 2.600 |
R-factor | 0.222 |
Rwork | 0.218 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CYP2R1 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | REFMAC (6.1.13) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.490 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 70364 | |
<I/σ(I)> | 9.6 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.5 |
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 |