6YAP
Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-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 | 2017-12-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.670, 79.670, 203.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.810 - 1.900 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yao |
| 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] | 27.810 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 52720 | 8327 |
| <I/σ(I)> | 24.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 25.8 | |
| CC(1/2) | 1.000 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | HEPES, MPD |
