2VAG
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 |
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 | 32.000 - 1.800 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z57 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.404 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.580 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | 0.610 |
Number of reflections | 36979 | |
<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 | 7 | 2.1M SODIUM MALATE PH7.0 |