9C1T

Crystal structure of integrin beta-3 tail bound to the FERM-folded talin head domain with a D397R mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	66.425, 67.209, 115.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 2.300
R-factor	0.2063
Rwork	0.203
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.780	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	23199	1357
<I/σ(I)>	12.2
Completeness [%]	98.5
Redundancy	6.6
CC(1/2)	0.996	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M sodium chloride, 0.1 M MES pH6.5, 10 % w/v PEG 4000