7ONF
The binding of p-coumaroyl glucose to glycogen phosphorylase reveals the relationship between structural data and effects on cell metabolome
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2019-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 128.607, 128.607, 116.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.390 - 1.600 |
| R-factor | 0.13014 |
| Rwork | 0.129 |
| R-free | 0.16112 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7O8E |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.218 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.400 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.621 | |
| Number of reflections | 128346 | 6280 |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | |
| CC(1/2) | 0.998 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.8 | 289 | 10 mM BES buffer |
