8KCN
X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 55.527, 79.617, 114.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.470 - 1.310 |
R-factor | 0.16287 |
Rwork | 0.162 |
R-free | 0.17290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.813 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.365 | 1.310 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmerge | 0.162 | |
Rmeas | 0.179 | |
Number of reflections | 60439 | 57490 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 98.9 | 98.8 |
Redundancy | 1.9 | |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 30% PEG MME550; 0.1M Tris pH7.0; 0.05M MgCL |