6S24
Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and the peptide 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.655, 104.661, 143.186 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.120 |
| R-factor | 0.19302 |
| Rwork | 0.191 |
| R-free | 0.23738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nqa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.688 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.230 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rpim | 0.051 | 0.491 |
| Number of reflections | 41413 | 4490 |
| <I/σ(I)> | 7.7 | 1.2 |
| Completeness [%] | 94.0 | 71.9 |
| Redundancy | 5.3 | 3.1 |
| CC(1/2) | 0.996 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Morpheus precipitant mix 4, nitrate phosphate buffer and Morpheus buffer System 1 |
