3DD1
Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254
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 | 124.103, 124.103, 123.222 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.270 - 2.570 |
| R-factor | 0.16865 |
| Rwork | 0.167 |
| R-free | 0.20729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1em6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.055 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.106 |
| Number of reflections | 82440 |
| <I/σ(I)> | 14.9 |
| Completeness [%] | 99.2 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 0.1M Na MES pH 5.8-6.1, 12-25% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
