1RKC

Human vinculin head (1-258) in complex with talin's vinculin binding site 3 (residues 1944-1969)

Experimental procedure

Experimental method	MIRAS
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Detector technology	CCD
Wavelength(s)	0.9793,1.2545,0.9793
Spacegroup name	I 41 3 2
Unit cell lengths	155.680, 155.680, 155.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.700
Rwork	0.244
R-free	0.33500
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.263
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SHARP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000 *
High resolution limit [Å]	2.700	2.800 *
Rmerge	0.100 *	0.497 *
Total number of observations	178681 *
Number of reflections	9051	1290 *
Completeness [%]	99.8 *	99.7 *
Redundancy	19.6 *	5.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4	293	2% MPD; 100 mM citric acid (pH 4); 100 mM CdCl2, pH 4.0, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	2 (%)
2	1	reservoir	citric acid	100 (mM)	pH4
3	1	reservoir		100 (mM)