7O9Y
Crystal structure of di-phosphorylated human CLK1 in complex with 4-(1H-indol-3-yl)pyrimidin-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 68.430, 68.430, 284.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.760 - 1.660 |
R-factor | 0.21859 |
Rwork | 0.217 |
R-free | 0.24626 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qty |
RMSD bond length | 0.017 |
RMSD bond angle | 1.800 |
Data reduction software | MOSFLM |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.760 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmeas | 0.076 | |
Number of reflections | 47191 | 4294 |
<I/σ(I)> | 18.3 | 1.72 |
Completeness [%] | 98.4 | |
Redundancy | 13.6 | |
CC(1/2) | 0.999 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 24% PEG3350, 200mM MgCl2, 100mM BisTris (pH 6.5) |