2E9O
Structure of h-CHK1 complexed with AA582939
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2002-02-15 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.940, 65.711, 57.773 |
Unit cell angles | 90.00, 94.20, 90.00 |
Refinement procedure
Resolution | 17.950 - 2.100 |
R-factor | 0.229 |
Rwork | 0.212 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
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 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 18735 | |
<I/σ(I)> | 12.3 | 4.8 |
Completeness [%] | 95.3 | 74.3 |
Redundancy | 3.1 | 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 |