4RVK
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-11-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.989, 65.906, 57.875 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.25547 |
| Rwork | 0.253 |
| R-free | 0.29882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zys |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.588 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.840 |
| Number of reflections | 27108 |
| <I/σ(I)> | 15.8 |
| Completeness [%] | 92.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | HEPES, isopropanol, PEG 8000, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
