1H5U
THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-03 |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.966, 128.966, 116.186 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.250 - 1.760 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c50 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.250 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.054 | 0.696 |
| Total number of observations | 483106 * | |
| Number of reflections | 93061 | |
| <I/σ(I)> | 15.41 | 2.33 |
| Completeness [%] | 95.8 | 94.8 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.7 | 16 * | Zographos, S.E., (1997) Structure (London), 5, 1413. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | W1807 | 1 (mM) | |
| 2 | 1 | 1 | enzyme | 27-28 (mg/ml) | |
| 3 | 1 | 1 | spermine | 1 (mM) | |
| 4 | 1 | 1 | dithiothreitol | 3 (mM) | |
| 5 | 1 | 1 | BES | 10 (mM) | |
| 6 | 1 | 1 | EDTA | 0.1 (mM) | |
| 7 | 1 | 1 | sodium azide | 0.02 (%) |
