6TW2
Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.006029 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.950, 64.108, 78.894 |
| Unit cell angles | 90.00, 118.17, 90.00 |
Refinement procedure
| Resolution | 29.270 - 1.800 |
| R-factor | 0.1828 |
| Rwork | 0.181 |
| R-free | 0.22250 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2vag |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.929 |
| Phasing software | PHENIX (1.16_3549) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.920 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.613 |
| Number of reflections | 36979 | 5380 |
| <I/σ(I)> | 11.6 | 1.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 2.1 M SODIUM MALATE |
