4MLO

1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	47.337, 39.410, 80.238
Unit cell angles	90.00, 97.94, 90.00

Refinement procedure

Resolution	39.735 - 1.650
R-factor	0.1692
Rwork	0.168
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gbg
RMSD bond length	0.009
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	SCALA (0.1.29)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (dev_1444)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.470	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.081	0.680
Number of reflections	35493
<I/σ(I)>	10.3	1.9
Completeness [%]	99.6	99.8
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	5% (w/V) PEG 5000, 10% (v/v) 2-propanol, 0.1 M MES, 0.2M magnesium chloride, pH 6.5, VAPOR DIFFUSION, temperature 293K