5MEM
A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2013-04-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.23953 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.363, 128.363, 116.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.270 - 1.780 |
R-factor | 0.17249 |
Rwork | 0.171 |
R-free | 0.19518 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.968 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.300 | 1.880 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.049 | 0.527 |
Number of reflections | 92031 | |
<I/σ(I)> | 20.6 | 4.1 |
Completeness [%] | 98.9 | 97.7 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 289 | N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid, EDTA, DTT, IMP |