8VXD
Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 7
This is a non-PDB format compatible entry.
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 | 2018-11-07 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.556, 101.921, 66.891 |
Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
Resolution | 50.340 - 2.470 |
R-factor | 0.2666 |
Rwork | 0.265 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.314 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.340 | 2.510 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.062 | 0.678 |
Rmeas | 0.075 | 0.804 |
Rpim | 0.040 | 0.428 |
Total number of observations | 80884 | 3844 |
Number of reflections | 24239 | 1116 |
<I/σ(I)> | 8.8 | 1.3 |
Completeness [%] | 99.6 | |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.997 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 12%-20% PEG 10 K, 0.1 M Bis Tris (pH 5.5), 0.1 M Ammonium Acetate |