8UHZ

X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with Mn2+

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	62.627, 65.012, 166.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.550
R-factor	0.1845
Rwork	0.180
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.537
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.610
High resolution limit [Å]	2.550	2.570
Rmerge	0.169	0.802
Rmeas	0.182
Rpim	0.066	0.458
Number of reflections	22636	1082
<I/σ(I)>	11.3	1.6
Completeness [%]	99.8
Redundancy	7.2
CC(1/2)	0.987	0.605

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)