5JSF
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972420 |
Spacegroup name | I 2 3 |
Unit cell lengths | 130.256, 130.256, 130.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.052 - 1.842 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.18660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5en4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.817 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.491 | |
Number of reflections | 31827 | |
<I/σ(I)> | 21.35 | 4.2 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 6.66 | 6.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | HEPES 0.1 M pH 7.00, sodium formate 3.3 M |