6PM9
Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 89.920, 91.460, 94.610 |
Unit cell angles | 77.27, 62.61, 62.86 |
Refinement procedure
Resolution | 40.690 - 2.860 |
R-factor | 0.243 |
Rwork | 0.239 |
R-free | 0.30900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.484 | 2.913 |
High resolution limit [Å] | 2.860 | 2.860 |
Number of reflections | 52089 | 2510 |
<I/σ(I)> | 7.2 | |
Completeness [%] | 95.1 | |
Redundancy | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M K-Na-tartrate tetrahydrate, 20% (w/v) PEG 3350 |