11UC
Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-06-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.284, 78.875, 82.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.036 - 1.962 |
| R-factor | 0.1627 |
| Rwork | 0.160 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_780) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.620 | 2.050 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.119 | 0.484 |
| Rmeas | 0.140 | 0.571 |
| Rpim | 0.055 | 0.223 |
| Number of reflections | 22831 | 3260 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.5 | 6.4 |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Tris-HCl pH 7.0, 0.2 M MnCl2, 16% PEG 5,000 |
