3MTB
Glycogen phosphorylase complexed with 3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2008-11-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.906, 128.906, 116.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.540 - 1.950 |
| R-factor | 0.18356 |
| Rwork | 0.182 |
| R-free | 0.21221 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.149 |
| 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 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.053 | 0.429 |
| Number of reflections | 70758 | |
| <I/σ(I)> | 17 | 4.3 |
| Completeness [%] | 98.6 | 96.6 |
| Redundancy | 5.3 | 4.8 |
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 16 hrs, pH 6.7, SMALL TUBES, temperature 289K |
