3TKH
Crystal structure of Chk1 in complex with inhibitor S01
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-08-27 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.091, 65.413, 57.821 |
Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
Resolution | 44.920 - 1.790 |
R-factor | 0.1841 |
Rwork | 0.183 |
R-free | 0.20070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ia8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.920 | 1.860 |
High resolution limit [Å] | 1.790 | 1.800 |
Number of reflections | 31331 | |
<I/σ(I)> | 15.6 | 3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.79 | 4.65 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 13% PEG8K, 0.1M ammonium sulfate, 2% glycerol, 0.1M cacodylate buffer at pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |