13FJ

TGFB1 IN COMPLEX WITH NIS793 FAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.705, 100.957, 138.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.670 - 2.750
R-factor	0.2189
Rwork	0.217
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (16-JUL-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.960	2.870
High resolution limit [Å]	2.750	2.750
Rmerge	0.148	1.766
Rmeas	0.154	1.868
Rpim	0.043	0.597
Total number of observations	471252	40396
Number of reflections	36656	4267
<I/σ(I)>	11.5	1.2
Completeness [%]	99.6	96.9
Redundancy	12.9	9.5
CC(1/2)	0.997	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.05M (NH4)2SO4, 0.05M BIS-TRIS 6.5 PH, 30% V/V PENTAERYTHRITOL PROPOXYLATE