1C8L
SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-15 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.690, 126.690, 115.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.500 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.25700 |
| Structure solution method | OTHER |
| Starting model (for MR) | 3amv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 | 0.375 |
| Total number of observations | 183590 * | |
| Number of reflections | 41698 | |
| <I/σ(I)> | 10.5 | 2.6 |
| Completeness [%] | 98.4 | 98.5 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.7 | pH 6.70 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 29.1 (mg/ml) | |
| 2 | 1 | 1 | W1807 | 0.9 (mM) | |
| 3 | 1 | 1 | caffeine | 4.9 (mM) | |
| 4 | 1 | 1 | dithiothreitol | 3 (mM) | |
| 5 | 1 | 1 | BES | 10 (mM) | |
| 6 | 1 | 1 | EDTA | 0.1 (mM) | |
| 7 | 1 | 1 | sodium azide | 0.02 (%) |
