3MRX
Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-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 | 2007-11-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.04498 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.310, 128.310, 116.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.110 - 1.950 |
| R-factor | 0.18367 |
| Rwork | 0.182 |
| R-free | 0.21606 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.150 |
| 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] | 35.580 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.366 |
| Number of reflections | 69032 | |
| <I/σ(I)> | 18.3 | 5 |
| Completeness [%] | 97.8 | 97.2 |
| Redundancy | 5 | 4.9 |
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. 6.7mM inhibitor in 20% DMSO soaked with native crystals for 3 hrs, SMALL TUBES, temperature 289K |
