2E9P
Structure of h-CHK1 complexed with A771129
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2003-02-20 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.948, 65.569, 58.267 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 19.650 - 2.600 |
| R-factor | 0.237 |
| Rwork | 0.210 |
| R-free | 0.29600 |
| 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 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 9854 | |
| <I/σ(I)> | 9.8 | 3.8 |
| Completeness [%] | 93.9 | 64.1 |
| Redundancy | 3.6 | 3.1 |
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 |
