3LIF

Crystal Structure of the extracellular domain of the putative histidine kinase rpHK1S-Z16

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.97918, 0.97935, 0.96788
Spacegroup name	P 43 3 2
Unit cell lengths	184.780, 184.780, 184.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.390 - 2.700
R-factor	0.208
Rwork	0.205
R-free	0.25600
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	2.417
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.065	0.035	0.352
Number of reflections	56039
<I/σ(I)>	12.4
Completeness [%]	100.0	99.6	100
Redundancy	12.9	12.7	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	0.2M NH4Ac, 0.1M citrate pH5.6, 30% MPD, vapor diffusion, temperature 293K