2FET
Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal
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] | 293 |
| Detector technology | CCD |
| Collection date | 2003-10-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.803 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.308, 128.308, 116.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.030 |
| R-factor | 0.1881 |
| Rwork | 0.188 |
| R-free | 0.21300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.250 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 56087 | |
| <I/σ(I)> | 13.1 | 3.6 |
| Completeness [%] | 91.7 | 88.4 |
| Redundancy | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | 10 mM Bes buffer, 3 mM DDT, pH 6.7, SMALL TUBES, temperature 289K |
