5M7U
Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 101.230, 101.230, 284.673 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.560 - 2.300 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.22740 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5m7r |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.562 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.560 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.082 | 2.697 |
| Number of reflections | 66853 | |
| <I/σ(I)> | 17.8 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.2 | 13.6 |
| CC(1/2) | 0.996 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 0.1-0.2 M tri Ammonium citrate pH 7.5 16-20 % PEG 3350 |
