1FU4
STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source details | OTHER |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-04-25 |
| Detector | NICOLET IPC |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.500, 128.500, 116.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.400 - 2.360 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.22400 |
| Structure solution method | OTHER |
| Starting model (for MR) | 2prj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CCP4 |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.400 | 2.470 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.110 | |
| Total number of observations | 135245 * | |
| Number of reflections | 36042 * | |
| Completeness [%] | 89.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.7 | 16 * | Oikonomakos, N.G., (1985) Biochim.Biophys.Acta., 832, 248. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | phosphorylase b | 27.5 (mg/ml) | |
| 2 | 1 | 1 | IMP | 1.1 (mM) | |
| 3 | 1 | 1 | spermine | 1.1 (mM) | |
| 4 | 1 | 1 | Bes | 10 (mM) | |
| 5 | 1 | 1 | dithiothreitol | 2.9 (mM) | |
| 6 | 1 | 1 | EDTA | 0.1 (mM) |
