6YAO
Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
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 | 2015-11-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.713, 79.713, 203.671 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.280 - 2.000 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4oal |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.280 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 45358 | 6274 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 99.7 | |
Redundancy | 7.21 | |
CC(1/2) | 0.999 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | Hepes, MPD |