6KHD
Crystal structure of CLK1 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 | 2016-03-07 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.529, 115.675, 90.608 |
Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
Resolution | 31.935 - 2.700 |
R-factor | 0.2045 |
Rwork | 0.200 |
R-free | 0.27410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.285 |
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 | 2.800 |
High resolution limit [Å] | 2.673 | 5.810 | 2.700 |
Rmerge | 0.159 | 0.070 | |
Rmeas | 0.172 | 0.077 | |
Rpim | 0.083 | 0.031 | |
Number of reflections | 32073 | 3245 | 3172 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.8 | 98.8 | 99.7 |
Redundancy | 7 | 6.4 | 7.1 |
CC(1/2) | 0.996 | 0.666 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 8% (v/v) Tacsimate, 18% (w/v) PEG 3350, 3% (v/v) Glycerol |