6F4Y
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S
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 | P 21 21 21 |
Unit cell lengths | 36.170, 73.530, 94.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.784 - 1.920 |
R-factor | 0.2063 |
Rwork | 0.204 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
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] | 47.700 | 2.200 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 19954 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 99.7 | |
Redundancy | 6.3 |
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 |