4RCH
Discovery of 2-Pyridyl Ureas as Glucokinase Activators
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.116, 80.116, 321.807 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.190 - 2.300 |
| R-factor | 0.23305 |
| Rwork | 0.231 |
| R-free | 0.26748 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mle |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.351 |
| Data reduction software | CrystalClear |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.190 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.125 | 0.285 |
| Number of reflections | 28432 | |
| <I/σ(I)> | 8.08 | 2.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.99 | 10.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | 100 mM Hepes, pH 7.0, 28% PEG 1500, 5% glycerol, 50 mM glucose, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
