4CDR
Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 273.728, 273.728, 142.581 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.150 |
| R-factor | 0.19746 |
| Rwork | 0.197 |
| R-free | 0.21338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ay6 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.343 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.300 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.140 | 0.500 |
| Number of reflections | 104870 | |
| <I/σ(I)> | 9.2 | 3.1 |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 4.3 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.3 | 1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3 |
