6VGU

Crystal structure of FERM-folded talin head domain bound to the NPLY motif of beta3-integrin

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	2019-10-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	66.071, 66.825, 114.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 2.780
R-factor	0.217
Rwork	0.215
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ivf
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.620	2.850
High resolution limit [Å]	2.779	2.780
Rmerge	0.082	0.655
Number of reflections	12141
<I/σ(I)>	12.1	1.9
Completeness [%]	92.4	92.5
Redundancy	2.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M sodium chloride 0.1 M MES pH6.5 10 % w/v PEG 4000