9DZ5

Crystal structure of integrin beta-2 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-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	110.399, 66.886, 68.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.110 - 1.740
R-factor	0.1994
Rwork	0.198
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.110	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.220
Number of reflections	52268	2583
<I/σ(I)>	5.3
Completeness [%]	99.6
Redundancy	6
CC(1/2)	0.990	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	PEG4000 16%, NaCl 0.1M, DTT 2mM