6R6X
Crystal structure of di-phosphorylated human CLK1 in complex with 5-(1-methyl-1H-indol-3-yl)pyrimidin-4-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 | 2016-02-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 68.240, 68.240, 283.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.710 - 2.050 |
| R-factor | 0.20097 |
| Rwork | 0.199 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vag |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.749 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.710 | 2.103 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.067 | 0.671 |
| Number of reflections | 25786 | 1928 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 24% PEG 3350, 200mM MgCl2, 100mM BisTris (pH 6.5) |
