8UI1
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 at pH 7.3
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 | 2022-10-28 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 62.430, 65.713, 166.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.680 - 2.910 |
R-factor | 0.1892 |
Rwork | 0.185 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.614 |
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] | 30.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.178 | 1.204 |
Rmeas | 0.193 | 1.363 |
Rpim | 0.074 | 0.618 |
Number of reflections | 15343 | 727 |
<I/σ(I)> | 11.8 | 1.08 |
Completeness [%] | 98.0 | 96.5 |
Redundancy | 6.7 | 4.5 |
CC(1/2) | 0.986 | 0.297 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | Crystals were grown in buffer containing 0.1 M CHES pH 9.5 and 14-20% PEG 8000 (w/v) and soaked in cryo buffer containing 20% glycerol and HEPES pH 7.3. |