5OTI
The crystal structure of CK2alpha in complex with compound 27
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 | 2016-07-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.597, 46.034, 63.196 |
| Unit cell angles | 90.00, 111.42, 90.00 |
Refinement procedure
| Resolution | 53.620 - 1.590 |
| R-factor | 0.1919 |
| Rwork | 0.190 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.620 | 53.620 | 1.630 |
| High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
| Rmerge | 0.039 | 0.027 | 0.709 |
| Rmeas | 0.046 | 0.033 | 0.898 |
| Rpim | 0.025 | 0.019 | 0.544 |
| Total number of observations | 130674 | ||
| Number of reflections | 41521 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 99.6 | 99.7 | 96.7 |
| Redundancy | 3.1 | 3.1 | 2.4 |
| CC(1/2) | 0.998 | 0.993 | 0.527 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |
