8IVZ

Crystal structure of talin R7 in complex with KANK1 KN motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 2 2 21
Unit cell lengths	40.544, 46.898, 261.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 2.800
R-factor	0.239
Rwork	0.238
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8p
RMSD bond length	0.002
RMSD bond angle	0.425
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.210	0.073	1.524
Rmeas	0.221	0.076	1.642
Rpim	0.067	0.023	0.590
Total number of observations	126666
Number of reflections	12938	785	623
<I/σ(I)>	2.2
Completeness [%]	97.7	99.9	96
Redundancy	9.8	10.2	6.5
CC(1/2)	0.993	0.997	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	25% w/v pentaerythritol ethoxylate, 50 mM Magnesium chloride, 10 mM Tris pH8.5