8P08
Crystal structure of human CLK1 in complex with Leucettinib-21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999999 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 78.482, 64.442, 88.393 |
Unit cell angles | 90.00, 114.19, 90.00 |
Refinement procedure
Resolution | 47.900 - 2.400 |
R-factor | 0.2115 |
Rwork | 0.209 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.552 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 15878 | 1669 |
<I/σ(I)> | 7.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.994 | 0.673 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 18% PEG 3350 0.2M Na malonate pH 7 |