3G2L
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
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] | 100 |
Detector technology | CCD |
Collection date | 2007-03-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.80880 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.791, 128.791, 116.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.17612 |
Rwork | 0.174 |
R-free | 0.21049 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.501 |
Number of reflections | 43536 | |
<I/σ(I)> | 19.9 | 3.9 |
Completeness [%] | 99.0 | 98.6 |
Redundancy | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 6.8 | 289 | pH 6.8, SMALL TUBES, temperature 289K |