6HOU
Human protein kinase CK2 alpha in complex with vanillin
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 | 2016-02-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.225, 46.543, 63.411 |
| Unit cell angles | 90.00, 111.74, 90.00 |
Refinement procedure
| Resolution | 36.518 - 1.800 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q04 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.841 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.540 | 46.540 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.062 | 0.026 | 0.602 |
| Rmeas | 0.071 | 0.029 | 0.683 |
| Rpim | 0.033 | 0.013 | 0.317 |
| Total number of observations | 1109 | 7730 | |
| Number of reflections | 29389 | 262 | 1699 |
| <I/σ(I)> | 15.3 | 45.1 | 2.3 |
| Completeness [%] | 99.7 | 99.1 | 99.8 |
| Redundancy | 4.4 | 4.2 | 4.5 |
| CC(1/2) | 0.999 | 0.999 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |
