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 |