7ZYK
Compound 9 Bound to CK2alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.343, 45.842, 63.266 |
| Unit cell angles | 90.00, 111.38, 90.00 |
Refinement procedure
| Resolution | 54.330 - 1.310 |
| R-factor | 0.1911 |
| Rwork | 0.190 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moh |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC (v1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.330 | 1.310 |
| High resolution limit [Å] | 1.305 | 1.305 |
| Rmerge | 0.063 | 0.631 |
| Rmeas | 0.070 | 0.741 |
| Rpim | 0.030 | 0.381 |
| Total number of observations | 992 | |
| Number of reflections | 65260 | 277 |
| <I/σ(I)> | 15.1 | 2.6 |
| Completeness [%] | 86.1 | 36.5 |
| Redundancy | 5.1 | 3.6 |
| CC(1/2) | 0.996 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
