8CJ9
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
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 | 2017-12-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979340 |
Spacegroup name | P 1 |
Unit cell lengths | 45.780, 50.690, 110.440 |
Unit cell angles | 92.43, 90.09, 108.77 |
Refinement procedure
Resolution | 28.210 - 1.930 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | XDS (BUILT=20170615) |
Data scaling software | XDS (BUILT=20170615) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 1.930 | 5.740 | 1.930 |
Rmerge | 0.121 | 0.050 | 0.837 |
Rmeas | 0.144 | 0.059 | 0.994 |
Rpim | 0.076 | 0.501 | |
Number of reflections | 68243 | 2598 | 10507 |
<I/σ(I)> | 6.66 | 1.1 | |
Completeness [%] | 96.1 | 91.8 | |
Redundancy | 3.5 | 3.4 | |
CC(1/2) | 0.993 | 0.995 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 100 mM HEPES, 27% PEG 4K |