5J1W
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.630, 118.040, 90.500 |
Unit cell angles | 90.00, 99.55, 90.00 |
Refinement procedure
Resolution | 35.590 - 2.420 |
R-factor | 0.19099 |
Rwork | 0.189 |
R-free | 0.22784 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.286 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.590 | 2.550 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.082 | 0.599 |
Number of reflections | 44729 | |
<I/σ(I)> | 8.3 | 2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 30% 1,2-propanediol, 10% glycerol and 50 mM Na/K phosphate pH 7.2 |