6EHU
The crystal structure of CK2alpha in complex with compound 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.810, 46.480, 101.350 |
| Unit cell angles | 90.00, 94.47, 90.00 |
Refinement procedure
| Resolution | 56.380 - 1.950 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.380 | 56.380 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.068 | 0.027 | 0.750 |
| Rmeas | 0.081 | 0.032 | 0.898 |
| Rpim | 0.044 | 0.017 | 0.488 |
| Total number of observations | 159064 | 1761 | 11688 |
| Number of reflections | 48721 | ||
| <I/σ(I)> | 10.7 | 28.5 | 1.8 |
| Completeness [%] | 99.3 | 93.6 | 99.8 |
| Redundancy | 3.3 | 3.1 | 3.3 |
| CC(1/2) | 0.998 | 0.999 | 0.519 |
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 |
