8PVP
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18
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 | 2019-10-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.009, 127.009, 125.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.740 - 2.600 |
R-factor | 0.22328 |
Rwork | 0.222 |
R-free | 0.25346 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.740 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 32045 | 3883 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 99.3 | |
Redundancy | 8.8 | |
CC(1/2) | 0.998 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350 |