8CLW
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-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 | 2018-10-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.991870 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.560, 79.560, 203.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.280 - 1.800 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS (BUILT=20180307) |
| Data scaling software | XDS (BUILT=20180307) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.300 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.063 | 1.253 |
| Rpim | 0.024 | 0.604 |
| Number of reflections | 60808 | 9086 |
| <I/σ(I)> | 15.7 | 0.9 |
| Completeness [%] | 98.8 | 93 |
| Redundancy | 6.4 | 3.6 |
| CC(1/2) | 1.000 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES pH 7.5, 21% MPD, 1 mM inhibitor and protein at concentration of 10 mg ml-1 in the starting drop |
