6HNO
17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant H93A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 91.400, 91.400, 132.696 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.020 - 1.680 |
R-factor | 0.1699 |
Rwork | 0.168 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5icm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.038 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.680 | 1.680 |
Number of reflections | 31576 | 5144 |
<I/σ(I)> | 23.2 | 3.96 |
Completeness [%] | 97.5 | 99.7 |
Redundancy | 8.22 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG 6000 20%; Hepes 0.1 M pH 7.00; DMSO 5% |