2XGM
Substrate and product analogues as human O-GlcNAc transferase inhibitors.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.534, 99.982, 157.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.550 |
| R-factor | 0.268 |
| Rwork | 0.267 |
| R-free | 0.30900 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.619 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.050 |
| Number of reflections | 42658 |
| <I/σ(I)> | 16.3 |
| Completeness [%] | 97.8 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1MCHES, PH 9.5, 25% POLYETHYLENEGLYCOL 3350 |
