3G2J
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 | 2008-12-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.80100 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.191, 127.191, 115.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.800 - 2.140 |
| R-factor | 0.19473 |
| Rwork | 0.193 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.054 |
| 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 | 2.190 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.088 | 0.552 |
| Number of reflections | 49394 | |
| <I/σ(I)> | 6.1 | 2.3 |
| Completeness [%] | 94.4 | 86.4 |
| Redundancy | 6.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.8 | 289 | pH 6.8, SMALL TUBES, temperature 289K |
