5XN7

Crystal structure of the effector domain RID of Vibrio vulnificus MARTX toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	95
Detector technology	PIXEL
Collection date	2015-10-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	C 1 2 1
Unit cell lengths	124.743, 185.185, 81.365
Unit cell angles	90.00, 95.60, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.20536
Rwork	0.203
R-free	0.24378
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.120	50.000	2.750
High resolution limit [Å]	2.690	7.320	2.700
Rmerge	0.127	0.074	0.759
Rmeas	0.137	0.080	0.828
Rpim	0.052	0.031	0.328
Number of reflections	50131
<I/σ(I)>	3.7
Completeness [%]	99.9	99.9	98.9
Redundancy	6.8	6.7	6
CC(1/2)		0.994	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	6% 1,4 Dioxane, 0.1M MES pH6.5, 1.6M (NH4)2SO4