3MRT
Glycogen phosphorylase complexed with 4-pyridinecarboxaldehyde-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 | 2007-10-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8081 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.501, 128.501, 115.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.440 - 1.980 |
| R-factor | 0.18292 |
| Rwork | 0.181 |
| R-free | 0.21552 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.156 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.057 | 0.472 |
| Number of reflections | 66434 | |
| <I/σ(I)> | 20.15 | 5.13 |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 6.1 | 6 |
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. 20mM inhibitor in 20% DMSO soaked with crystal for 7 hrs, SMALL TUBES, temperature 289K |
