8UI6
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-01 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 61.252, 66.913, 163.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.650 |
R-factor | 0.1801 |
Rwork | 0.174 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.530 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.700 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.149 | 0.730 |
Rmeas | 0.161 | 0.822 |
Rpim | 0.060 | 0.370 |
Number of reflections | 20128 | 961 |
<I/σ(I)> | 14.8 | 2.28 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 6.9 | 4.7 |
CC(1/2) | 0.989 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1 M CHES pH 9.5 and 14-20% PEG 8000 (w/v) |