4E1D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-03-04
Detector	MAR scanner 345 mm plate
Spacegroup name	P 43 2 2
Unit cell lengths	128.390, 128.390, 76.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.390 - 2.490
R-factor	0.223
Rwork	0.222
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e1c
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
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	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.106	0.416
Number of reflections	42340
<I/σ(I)>	10.2	3
Completeness [%]	100.0	94.8
Redundancy	4.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1