2HOG
crystal structure of Chek1 in complex with inhibitor 20
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-01-18 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.970, 65.530, 58.400 |
Unit cell angles | 90.00, 94.20, 90.00 |
Refinement procedure
Resolution | 44.800 - 1.900 |
Rwork | 0.204 |
R-free | 0.23600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ia8 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.190 |
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] | 45.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.077 | 0.321 |
Number of reflections | 26747 | |
<I/σ(I)> | 15 | 1.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 13% PEG 8K, 0.1M Ammonium sulfate, 2% glycerol, 0.1M cacodylate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |