6KHF
Crystal structure of CLK3 in complex with CX-4945
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-23 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 61.819, 114.978, 158.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.359 - 2.598 |
R-factor | 0.2293 |
Rwork | 0.223 |
R-free | 0.28370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eu9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.379 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.598 | 5.600 | 2.600 |
Rmerge | 0.154 | 0.064 | 0.672 |
Number of reflections | 17648 | 1860 | 1744 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 99.7 | 98.4 | 99.9 |
Redundancy | 6.1 | 6.5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 60% (v/v) Tacsimate pH 7.0, 0.025% dichloromethane |