8P07
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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 | 2023-03-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999999 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.459, 127.459, 124.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.100 - 2.400 |
R-factor | 0.20625 |
Rwork | 0.204 |
R-free | 0.25105 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.256 |
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] | 45.100 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 40693 | 4190 |
<I/σ(I)> | 13.3 | |
Completeness [%] | 99.9 | |
Redundancy | 13.3 | |
CC(1/2) | 0.999 | 0.798 |
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 |