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 |