7ZI6
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.975631 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 68.629, 68.629, 122.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.530 - 2.100 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kcg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.593 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.530 | 48.530 | 2.230 |
High resolution limit [Å] | 2.100 | 6.250 | 2.100 |
Rmerge | 0.107 | 0.053 | 1.918 |
Rmeas | 0.110 | 0.054 | 1.955 |
Number of reflections | 17508 | 777 | 2727 |
<I/σ(I)> | 19.65 | 55.36 | 1.9 |
Completeness [%] | 98.0 | 99.2 | 96.8 |
Redundancy | 25.797 | 21.102 | 26.742 |
CC(1/2) | 0.999 | 0.999 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 1.1 M Sodium citrate, 73 mM HEPES |