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 (%) |