8C6L
Human protein kinase CK2 alpha in complex with CK2-TN01
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 | 58.446, 46.362, 63.255 |
| Unit cell angles | 90.00, 112.02, 90.00 |
Refinement procedure
| Resolution | 36.369 - 1.800 |
| R-factor | 0.1664 |
| Rwork | 0.164 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q04 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.800 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.360 | 46.360 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.079 | 0.039 | 0.724 |
| Rmeas | 0.090 | 0.045 | 0.825 |
| Rpim | 0.042 | 0.021 | 0.390 |
| Total number of observations | 131102 | 1136 | 7598 |
| Number of reflections | 29330 | 259 | 1720 |
| <I/σ(I)> | 11.5 | 29.7 | 2.1 |
| Completeness [%] | 99.9 | 98.9 | 99.9 |
| Redundancy | 4.5 | 4.4 | 4.4 |
| CC(1/2) | 0.997 | 0.997 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
