8G9V
Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.150, 161.560, 100.770 |
Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
Resolution | 37.910 - 2.645 |
R-factor | 0.2136 |
Rwork | 0.212 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.950 | 2.897 |
High resolution limit [Å] | 2.645 | 2.645 |
Rpim | 0.083 | 0.589 |
Number of reflections | 67940 | 3398 |
<I/σ(I)> | 7.9 | 1.5 |
Completeness [%] | 93.4 | |
Redundancy | 3.4 | |
CC(1/2) | 0.990 | 0.462 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG3350, 0.1 M Bis-Tris pH 5.5, 0.2M Li2SO4 |