9EPX
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
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 | 2023-05-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000031 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.158, 128.158, 124.014 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.310 - 2.600 |
| R-factor | 0.21563 |
| Rwork | 0.214 |
| R-free | 0.24636 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.508 |
| 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] | 45.310 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 32423 | 3903 |
| <I/σ(I)> | 9.3 | 1.7 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.4 | |
| CC(1/2) | 0.995 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate |
