3TAX
A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 98.600, 136.640, 153.319 |
| Unit cell angles | 90.00, 103.02, 90.00 |
Refinement procedure
| Resolution | 37.600 - 1.880 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pe4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.980 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.980 |
| High resolution limit [Å] | 1.875 | 1.875 |
| Rmerge | 0.397 | |
| Number of reflections | 160121 | |
| <I/σ(I)> | 2.4 | |
| Completeness [%] | 99.2 | 97.2 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
