9EPV
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
This is a non-PDB format compatible entry.
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 | 2023-05-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000030 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.090, 127.090, 125.969 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.970 - 2.300 |
R-factor | 0.21621 |
Rwork | 0.215 |
R-free | 0.24778 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.498 |
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] | 44.970 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 46444 | 4483 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 100.0 | |
Redundancy | 13.5 | |
CC(1/2) | 0.998 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350 |