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 |