3GL9

The structure of a histidine kinase-response regulator complex sheds light into two-component signaling and reveals a novel cis autophosphorylation mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	200
Detector technology	CCD
Collection date	2008-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	155.233, 155.233, 34.482
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.188
Rwork	0.185
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dge
RMSD bond length	0.009
RMSD bond angle	1.214
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.300	29.340	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.073	0.036	0.333
Total number of observations		17593	60798
Number of reflections	44647
<I/σ(I)>	7.083	7.8	2.2
Completeness [%]	99.7	99.2	99.2
Redundancy	10.7	11.6	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	294	1.9M ammonium sulfate, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K