6F54
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 180 |
Detector technology | PIXEL |
Collection date | 2017-05-02 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.610, 71.540, 50.630 |
Unit cell angles | 90.00, 90.37, 90.00 |
Refinement procedure
Resolution | 37.375 - 1.080 |
R-factor | 0.1895 |
Rwork | 0.189 |
R-free | 0.19890 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.011 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.300 | 1.100 |
High resolution limit [Å] | 1.080 | 1.080 |
Number of reflections | 115237 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 87.4 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate |