4QYG
CHK1 kinase domain in complex with diazacarbazole compound 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-10-16 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.107, 65.987, 115.980 |
| Unit cell angles | 90.00, 94.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.18525 |
| Rwork | 0.184 |
| R-free | 0.21408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.284 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.750 |
| Number of reflections | 67096 |
| <I/σ(I)> | 24 |
| Completeness [%] | 98.2 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 15% isopropanol, 12% PEG 8000, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
