7ZY0
Crystal structure of compound 7 bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.932300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.679, 45.828, 63.283 |
| Unit cell angles | 90.00, 111.58, 90.00 |
Refinement procedure
| Resolution | 58.850 - 1.440 |
| R-factor | 0.1999 |
| Rwork | 0.199 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.850 | 1.444 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.042 | 0.448 |
| Rmeas | 0.051 | 0.451 |
| Rpim | 0.027 | 0.247 |
| Total number of observations | 43015 | |
| Number of reflections | 56651 | 13499 |
| <I/σ(I)> | 14 | 2.8 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.3 | 2.9 |
| CC(1/2) | 0.999 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
