3LID

Crystal Structure of the extracellular domain of the putative histidine kinase vpHK1S-Z8

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)	0.97924 0.97929 0.96784
Spacegroup name	P 21 21 21
Unit cell lengths	74.102, 79.444, 123.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.807 - 1.760
R-factor	0.184
Rwork	0.182
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.026
RMSD bond angle	2.117
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	1.820
High resolution limit [Å]	1.760	3.790	1.760
Rmerge	0.054	0.046	0.256
Number of reflections	72469
<I/σ(I)>	18.7
Completeness [%]	99.0	96.1	95.7
Redundancy	7.2	11.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	293	5% PEG8K, 0.2M NaCl, 0.1M Na/K Phosphate pH6.2, vapor diffusion, temperature 293K
1	VAPOR DIFFUSION	6.2	293	5% PEG8K, 0.2M NaCl, 0.1M Na/K Phosphate pH6.2, vapor diffusion, temperature 293K