7ZI7
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-07 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.980111 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 68.627, 68.627, 120.601 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.530 - 1.800 |
R-factor | 0.1894 |
Rwork | 0.187 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kcg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.658 |
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 | 1.910 |
High resolution limit [Å] | 1.800 | 5.380 | 1.800 |
Rmerge | 0.067 | 0.048 | 1.372 |
Rmeas | 0.068 | 0.049 | 1.393 |
Number of reflections | 27338 | 1168 | 4315 |
<I/σ(I)> | 26.1 | 71.8 | 2.24 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 26 | 22.025 | 27.159 |
CC(1/2) | 0.999 | 0.997 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 0.95 M Sodium citrate, 63 mM HEPES |