1AXR
COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-03 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.720, 126.720, 115.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.27600 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.097 | 0.258 |
| Number of reflections | 37906 | |
| <I/σ(I)> | 9.4 | 2.9 |
| Completeness [%] | 89.8 | 76.1 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.7 | 16 * | NATIVE T-STATE GLYCOGEN PHOSPHORYLASE CRYSTALS WERE SOAKED WITH 10 MM BES, 0.1 MM EDTA AND 0.02% SODIUM AZIDE SOLUTION CONTAINING 5 MM TRIAZOLE AND 50 MM SODIUM DIHYDROGEN PHOSPHATE FOR 1 HOUR., pH 6.7, soak native crystals |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | GPb | 27-28 (mg/ml) | |
| 2 | 1 | 1 | spermine | 1 (mM) | |
| 3 | 1 | 1 | dithiothreitol | 3 (mM) | |
| 4 | 1 | 1 | BES | 10 (mM) | |
| 5 | 1 | 1 | EDTA | 0.1 (mM) | |
| 6 | 1 | 1 | sodium azide | 0.02 (%) |
