3MTA
Glycogen phosphorylase complexed with 3-bromobenzaldehyde-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 | 2008-02-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97976 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.916, 128.916, 116.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.230 |
| R-factor | 0.19763 |
| Rwork | 0.196 |
| R-free | 0.23282 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.099 |
| 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 | 2.270 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.071 | 0.462 |
| Number of reflections | 47672 | |
| <I/σ(I)> | 9.67 | 3.55 |
| Completeness [%] | 98.1 | 96.6 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | Crystals grown from 20 mg/ml protein in a buffer of 10 mM BES, pH 6.7, 1mM EDTA, 3mM DTT. Crystals soaked with 10mM inhibitor in 20% DMSO soaked for 21 hrs, SMALL TUBES, temperature 289K |
