8UHV

X-ray crystal structure of Toxoplasma gondii Apo GalNAc-T3

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 MX-300
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	60.238, 67.281, 164.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 2.900
R-factor	0.1829
Rwork	0.180
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.536
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	0.198	1.204
Rmeas	0.213
Rpim	0.077	0.482
Number of reflections	15357	726
<I/σ(I)>	9.7
Completeness [%]	100.0	100
Redundancy	7.4	7
CC(1/2)	0.991	0.554

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)