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 |
