5UHL
Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G
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 | 2013-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.200, 98.200, 261.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.930 - 3.140 |
| R-factor | 0.196 |
| Rwork | 0.192 |
| R-free | 0.25700 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 261.000 | 3.150 |
| High resolution limit [Å] | 3.140 | 3.140 |
| Rmerge | 0.120 | 1.416 |
| Number of reflections | 23282 | |
| <I/σ(I)> | 19.1 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.9 | 13.2 |
| CC(1/2) | 0.999 | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 14-17% PEG 3350, 0.2 M Mg Formate |
