3MRV
Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-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 | 2007-11-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.04498 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.866, 128.866, 116.324 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.940 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.21633 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.189 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.087 | 0.529 |
| Number of reflections | 72392 | |
| <I/σ(I)> | 9.73 | 3.7 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.7 | 289 | 20mM inhibitor in 20% DMSO soaked with T-state native enzyme crystals for 3.5 hrs, pH 6.7, SMALL TUBES, temperature 289K |
