2P5N
Crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase in complex with coenzyme NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.910, 84.900, 95.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 1.800 |
R-factor | 0.20136 |
Rwork | 0.198 |
R-free | 0.26796 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mrq |
RMSD bond length | 0.018 |
RMSD bond angle | 1.873 |
Data reduction software | HKL-2000 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.475 |
Number of reflections | 59131 | |
Completeness [%] | 91.1 | 84.8 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M Hepes, 10% PEG 6000, 5% 2-methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |