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.