3DDW
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055
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 | 124.368, 124.368, 123.621 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.630 - 1.900 |
R-factor | 0.15436 |
Rwork | 0.153 |
R-free | 0.18642 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1em6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.246 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.078 | 0.534 |
Number of reflections | 168259 | |
<I/σ(I)> | 21.58 | 2.7 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 5.8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 12-25% MPD, 0.1M Na MES Buffer pH 6.0, 5mM Caffeine, VAPOR DIFFUSION, HANGING DROP, temperature 290K |