7ZW4

Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	46.656, 61.348, 98.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 2.720
R-factor	0.24381
Rwork	0.242
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fzt
RMSD bond length	0.004
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	2.850
High resolution limit [Å]	2.720	2.720
Rmerge	0.168	2.599
Rmeas	0.175	2.700
Rpim	0.049	0.722
Number of reflections	8032	1021
<I/σ(I)>	9.5	1.3
Completeness [%]	99.8	99
Redundancy	12.9	13.6
CC(1/2)	0.998	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M bis-Tris propane pH 7.0, 0.1 M NaBr and 24% PEG3350