2E9U
Structure of h-CHK1 complexed with A780125
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 | 2003-02-21 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.075, 65.820, 57.945 |
Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
Resolution | 19.720 - 2.000 |
R-factor | 0.242 |
Rwork | 0.227 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
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 | 21709 | |
<I/σ(I)> | 16.3 | 4.4 |
Completeness [%] | 94.7 | 72.1 |
Redundancy | 3.2 | 3 |
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 |