6RCH
Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.106, 74.072, 88.967 |
Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
Resolution | 86.620 - 1.450 |
R-factor | 0.1566 |
Rwork | 0.155 |
R-free | 0.17830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hnf |
RMSD bond length | 0.016 |
RMSD bond angle | 1.615 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.622 | 19.721 | 1.530 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.150 | 0.439 | |
Rmeas | 0.188 | 0.166 | 0.486 |
Rpim | 0.077 | 0.068 | 0.204 |
Number of reflections | 108708 | 3528 | 15481 |
<I/σ(I)> | 6.5 | 10.4 | 3.1 |
Completeness [%] | 99.0 | 98.6 | 97.1 |
Redundancy | 5.7 | 5.7 | 5.4 |
CC(1/2) | 0.978 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 277.15 | 25% PEG3350, 0.2M sodium sulfate, 0.1M citrate pH 5.9 |