5N1V
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.767, 128.767, 125.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.050 - 2.520 |
R-factor | 0.1887 |
Rwork | 0.187 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.770 | 3.080 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.147 | 0.732 |
Number of reflections | 36530 | |
<I/σ(I)> | 15.5 | 4.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.7 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | unknown |