1XL0
Kinetic and crystallographic studies on 2-(beta-D-glucopyranosyl)-5-methyl-1,3,4-oxadiazole,-benzothiazole, and-benzimidazole, inhibitors of muscle glycogen phosphorylase b. Evidence for a new binding site.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 298 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 0.8015 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.129, 128.129, 115.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.920 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.950 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.053 | 0.526 |
Number of reflections | 72730 | |
<I/σ(I)> | 21.1 | 3.7 |
Completeness [%] | 98.8 | 98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 6.8 | 289 | pH 6.8, SMALL TUBES, temperature 289K |