3DDS
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 124.403, 124.403, 123.614 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.660 - 1.800 |
| R-factor | 0.17468 |
| Rwork | 0.174 |
| R-free | 0.19782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1em6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.488 |
| Number of reflections | 190798 | |
| <I/σ(I)> | 11.5 | 1.5 |
| Completeness [%] | 96.8 | 95.5 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 12-25% MPD, 0.1M MES buffer pH 6.0, 5mm Caffeine, 30mM GlcNac, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
