8D3F

Crystal structure of human STAT1 in complex with the repeat region from Toxoplasma protein TgIST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-04-18
Detector	RDI CMOS_8M
Wavelength(s)	1.0722
Spacegroup name	C 2 2 21
Unit cell lengths	59.960, 163.920, 226.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.640 - 2.970
R-factor	0.25
Rwork	0.248
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bf5
RMSD bond length	0.010
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.640	3.150
High resolution limit [Å]	2.970	2.970
Rmerge	0.176	1.961
Rmeas	0.179	1.997
Rpim	0.033	0.372
Number of reflections	23640	3764
<I/σ(I)>	20.3	1.9
Completeness [%]	100.0	100
Redundancy	29	28.4
CC(1/2)	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris pH 6.3-6.0, 3 M sodium chloride and 50 mM sodium citrate tribasic