9EQ0
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-15 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999998 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 126.497, 126.497, 126.444 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.760 - 3.150 |
R-factor | 0.25616 |
Rwork | 0.255 |
R-free | 0.27446 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.760 | 3.370 |
High resolution limit [Å] | 3.150 | 3.150 |
Number of reflections | 18361 | 3253 |
<I/σ(I)> | 7.8 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 26.3 | |
CC(1/2) | 0.990 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate |