8QWY
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)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 | 127.968, 127.968, 125.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.280 - 2.600 |
R-factor | 0.21313 |
Rwork | 0.211 |
R-free | 0.25095 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.447 |
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] | 45.280 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.204 | 2.785 |
Rmeas | 0.212 | 2.893 |
Rpim | 0.059 | 0.777 |
Total number of observations | 53483 | |
Number of reflections | 32597 | 3927 |
<I/σ(I)> | 10.9 | 1.8 |
Completeness [%] | 99.9 | |
Redundancy | 13.2 | 13.6 |
CC(1/2) | 0.998 | 0.765 |
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 335 |