2GDC

Structure of Vinculin VD1 / IpaA560-633 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8423
Spacegroup name	P 21 21 2
Unit cell lengths	52.684, 68.326, 96.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.180 - 2.740
R-factor	0.24966
Rwork	0.247
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1syq
RMSD bond length	0.016
RMSD bond angle	1.578
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.190	41.740	2.890
High resolution limit [Å]	2.740	8.660	2.740
Rmerge	0.085	0.030	0.350
Number of reflections	9559
<I/σ(I)>	7.1	7	2.1
Completeness [%]	99.0
Redundancy	4.7	4.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM HEPES, 10% 2-propanol, 20% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K