4EHP

Crystal Structure of human vinculin head domain (residues 1-252) in complex with alpha-catenin (residues 277-382)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	57.250, 73.960, 107.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.710 - 2.660
R-factor	0.1944
Rwork	0.193
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ibf
RMSD bond length	0.010
RMSD bond angle	1.060
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	107.432	107.432	2.800
High resolution limit [Å]	2.655	8.400	2.650
Rmerge	0.089	0.018	0.485
Total number of observations		3092	14365
Number of reflections	13785
<I/σ(I)>	21.2	25.5	1.6
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG 3350, sodium acetate, VAPOR DIFFUSION, temperature 295K