3F88
glycogen synthase Kinase 3beta inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.947, 111.785, 66.955 |
| Unit cell angles | 90.00, 100.84, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.204 |
| Rwork | 0.199 |
| R-free | 0.28100 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.583 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.044 | 0.447 |
| Number of reflections | 29408 | |
| <I/σ(I)> | 32.857 | |
| Completeness [%] | 98.5 | 94.2 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 10% PEG 3350, 0.2M proline, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
