8BGC
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
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 | 2022-05-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000009 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.340, 127.340, 125.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.060 - 2.800 |
| R-factor | 0.2241 |
| Rwork | 0.223 |
| R-free | 0.25340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6z84 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.797 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.060 | 45.020 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.171 | 0.034 | 1.519 |
| Rmeas | 0.178 | 0.036 | 1.577 |
| Rpim | 0.048 | 0.010 | 0.421 |
| Total number of observations | 11043 | 51733 | |
| Number of reflections | 26114 | 945 | 3741 |
| <I/σ(I)> | 13.6 | 40.3 | 2.1 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 13.4 | 11.7 | 13.8 |
| CC(1/2) | 0.999 | 1.000 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350 |
