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 |
