8T0D

Crystal structure of integrin beta-2 tail bound to the FERM-folded talin head domain with E269A/Y270A/K306Q triple mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	67.114, 67.092, 115.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.040 - 2.770
R-factor	0.1896
Rwork	0.187
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.040	2.869
High resolution limit [Å]	2.770	2.770
Rmerge	0.027	0.174
Number of reflections	13889	1353
<I/σ(I)>	17
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG4000 15%, NaCl 0.1M, DTT 2mM