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. |
