3MTD
Glycogen phosphorylase complexed with 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
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 | 2009-02-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.813 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.570, 128.570, 116.152 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.330 - 2.096 |
| R-factor | 0.1764 |
| Rwork | 0.174 |
| R-free | 0.21376 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.096 | 2.096 |
| Rmerge | 0.089 | 0.438 |
| Number of reflections | 50836 | |
| <I/σ(I)> | 9.28 | 3.64 |
| Completeness [%] | 88.3 | 89.9 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | 20 mg/ml of protein in a buffer solution containing 10 mM BES pH 6.7, 1 mM EDTA and 3 mM DTT. Crystal soaked with 20mM inhibitor in 20% DMSO for 21hrs 15 min, pH 6.7, SMALL TUBES, temperature 289K |
