8C6M
Human protein kinase CK2 alpha in complex with CK2-TN02
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 | 58.738, 46.286, 63.654 |
Unit cell angles | 90.00, 111.85, 90.00 |
Refinement procedure
Resolution | 36.436 - 1.800 |
R-factor | 0.1614 |
Rwork | 0.159 |
R-free | 0.20210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q04 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.866 |
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] | 46.290 | 46.290 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.099 | 0.048 | 0.749 |
Rmeas | 0.108 | 0.052 | 0.809 |
Rpim | 0.042 | 0.021 | 0.304 |
Total number of observations | 196781 | 1725 | 12003 |
Number of reflections | 29662 | 264 | 1741 |
<I/σ(I)> | 12.6 | 31.2 | 2.6 |
Completeness [%] | 99.9 | 98.9 | 99.8 |
Redundancy | 6.6 | 6.5 | 6.9 |
CC(1/2) | 0.997 | 0.998 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 32% PEG4000, 0.2 M Lithium Sulfate |