9EQ1
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-03-15 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 126.743, 126.743, 125.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.620 - 3.000 |
R-factor | 0.21151 |
Rwork | 0.210 |
R-free | 0.25067 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.502 |
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] | 126.740 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 21155 | 3355 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 100.0 | |
Redundancy | 27.2 | |
CC(1/2) | 0.997 | 0.803 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate |