8C6N
Human protein kinase CK2 alpha in complex with CK2-TN03
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.492, 46.518, 63.434 |
| Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
| Resolution | 36.501 - 2.050 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q04 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.520 | 46.520 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.148 | 0.053 | 0.831 |
| Rmeas | 0.164 | 0.059 | 0.921 |
| Rpim | 0.069 | 0.024 | 0.389 |
| Total number of observations | 110893 | 1460 | 8448 |
| Number of reflections | 20099 | 268 | 1555 |
| <I/σ(I)> | 8.6 | 25 | 2.2 |
| Completeness [%] | 99.8 | 99.1 | 99.7 |
| Redundancy | 5.5 | 5.4 | 5.4 |
| CC(1/2) | 0.995 | 0.997 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
