2E9V
Structure of h-CHK1 complexed with A859017
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2004-11-15 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 45.883, 56.783, 64.595 |
Unit cell angles | 92.83, 104.39, 113.86 |
Refinement procedure
Resolution | 19.770 - 2.000 |
R-factor | 0.272 |
Rwork | 0.257 |
R-free | 0.33300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 32755 | |
<I/σ(I)> | 11.7 | 2.2 |
Completeness [%] | 85.3 | 36.1 |
Redundancy | 1.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 8000, isopropanol, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |