1QKR

Crystal structure of the vinculin tail and a pathway for activation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	39.600, 87.770, 50.630
Unit cell angles	90.00, 91.27, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.2
Rwork	0.200
R-free	0.24800
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	17.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.064 *	0.270 *
Number of reflections	30415
<I/σ(I)>	16.6	3
Completeness [%]	98.6 *	88.3
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	22 *	25% (W/V) PEG 2000, 0.2 M (NH4)2SO4, 0.1 M CH3COO PH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop		150 (mM)
3	1	drop	Tris	20 (mM)
4	1	drop	dithiothreitol	4 (mM)
5	1	reservoir	PEG2000	25 (%(w/v))
6	1	reservoir	ammonium sulfate	0.2 (M)
7	1	reservoir	sodium acetate	0.1 (M)