8UJF
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 21 21 21 |
Unit cell lengths | 66.233, 123.693, 165.724 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.010 - 2.870 |
R-factor | 0.221 |
Rwork | 0.217 |
R-free | 0.27410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.641 |
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] | 20.010 | 2.900 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.292 | 1.568 |
Rmeas | 0.324 | 1.723 |
Rpim | 0.136 | 0.697 |
Number of reflections | 30811 | 1402 |
<I/σ(I)> | 5 | 0.87 |
Completeness [%] | 97.2 | 90.5 |
Redundancy | 6 | |
CC(1/2) | 0.950 | 0.377 |
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) |