8QWZ
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.842, 127.842, 125.341 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.790 - 2.600 |
R-factor | 0.20757 |
Rwork | 0.206 |
R-free | 0.24488 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.478 |
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] | 45.200 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.112 | 1.943 |
Rmeas | 0.117 | 2.017 |
Rpim | 0.032 | 0.542 |
Total number of observations | 435160 | 53644 |
Number of reflections | 32597 | 3924 |
<I/σ(I)> | 15.9 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 13.3 | 13.7 |
CC(1/2) | 0.999 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350 |