4E1C

Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mg++

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-02
Detector	MAR scanner 345 mm plate
Spacegroup name	P 43 2 2
Unit cell lengths	128.460, 128.460, 76.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.620 - 2.250
R-factor	0.175
Rwork	0.174
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dtf
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	HKL-3000
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.053	0.436
Number of reflections	28824
<I/σ(I)>	21.4	3.7
Completeness [%]	100.0	93.2
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.3	293	300 nL of protein at 13mg/mL, 100 nL of 2.4 M AmSO4, 0.1 M Bi-Tris, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K