6KHE
Crystal structure of CLK2 in complex with CX-4945
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.627, 75.627, 161.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.456 - 2.800 |
R-factor | 0.2025 |
Rwork | 0.196 |
R-free | 0.26060 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.189 | 0.073 | 1.367 |
Rmeas | 0.195 | 0.075 | 1.405 |
Rpim | 0.045 | 0.018 | 0.323 |
Total number of observations | 226791 | ||
Number of reflections | 12244 | 1370 | 1190 |
<I/σ(I)> | 3 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 18.5 | 16.4 | 18.6 |
CC(1/2) | 0.998 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1M Bis-Tris pH 5.5, 0.2M MgCl2, 25% (w/v) PEG 3350 |