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 |