3I9Y

Crystal structure of the V. parahaemolyticus histidine kinase sensor TorS sensor domain

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-01-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.98950,0.97940,0.97912,0.96863
Spacegroup name	P 65
Unit cell lengths	149.880, 149.880, 42.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 - 2.160
Rwork	0.222
R-free	0.26100
Structure solution method	MAD
RMSD bond length	0.056
RMSD bond angle	3.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.11)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.230
High resolution limit [Å]	2.160	4.610	2.160
Rmerge	0.095	0.045	0.419
Number of reflections	29951
<I/σ(I)>	9.2
Completeness [%]	99.9	99.7	99.9
Redundancy	5.5	5.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	7-13% PEG 4000, 0.1M Tris pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K