5X8I
Crystal structure of human CLK1 in complex with compound 25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97849 |
Spacegroup name | P 65 |
Unit cell lengths | 68.330, 68.330, 285.721 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.600 - 1.902 |
R-factor | 0.1681 |
Rwork | 0.166 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vag |
RMSD bond length | 0.007 |
RMSD bond angle | 1.129 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.086 | 0.431 |
Number of reflections | 58842 | |
<I/σ(I)> | 30.72 | 8.07 |
Completeness [%] | 99.7 | |
Redundancy | 15.9 | 15.9 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 2% (v/v) PEG 200, 20% (v/v) tacsimate (pH 7.0), 0.1M HEPES (pH 9.0) |