7V1A

Stapled TBS peptide from RIAM bound to talin R7R8 domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	60.864, 104.334, 48.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.572 - 1.845
R-factor	0.2175
Rwork	0.215
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8p
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.330	104.330	1.880
High resolution limit [Å]	1.845	9.040	1.850
Rmerge	0.033	0.022	1.546
Rmeas	0.036	0.024	1.689
Rpim	0.014	0.011	0.672
Total number of observations		1507	9226
Number of reflections	27043	288	1512
<I/σ(I)>	22.6	59.6	1
Completeness [%]	99.4	98.3	91.9
Redundancy	6.5	5.2	6.1
CC(1/2)	0.999	0.999	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	100 mM NaCl, 20% (w/v) polyethylene glycol 3350 and 20% (v/v) ethylene glycol.