3H7M

Crystal Structure of a Histidine Kinase Sensor Domain with Similarity to Periplasmic Binding Proteins

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-23
Wavelength(s)	0.9870, 0.9795, 0.9791, 0.9715
Spacegroup name	P 65 2 2
Unit cell lengths	122.920, 122.920, 81.692
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.870 - 2.400
Rwork	0.228
R-free	0.28500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.046	0.031	0.419
Number of reflections	14718
<I/σ(I)>	14.7
Completeness [%]	100.0	100	99.9
Redundancy	5.1	7.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	isopropanol, PEG3350, calcium acetate, pH 6.0, vapor diffusion, temperature 277K