3GBG

Crystal Structure of ToxT from Vibrio Cholerae O395

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	298
Detector technology	CCD
Collection date	2008-03-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9789, 0.9184, 0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	39.311, 77.739, 83.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.620 - 1.900
R-factor	0.214
Rwork	0.214
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MAD dataset
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.620	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	0.410
Number of reflections	20831
<I/σ(I)>		5.21
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH 7.5, 10% (w/v) PEG 8000, 3.6-4.0% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH 7.5, 10% (w/v) PEG 8000, 3.6-4.0% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES pH 7.5, 10% (w/v) PEG 8000, 3.6-4.0% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K