8BIY

Citrate-free extracytoplasmic PAS domain mutant R93A of sensor histidine kinase CitA from Geobacillus thermodenitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	60.137, 120.053, 152.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 1.610
R-factor	0.1929
Rwork	0.191
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bgb
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.120	1.640
High resolution limit [Å]	1.610	1.610
Rmeas	0.049	0.630
Number of reflections	70580	2137
<I/σ(I)>	16.33
Completeness [%]	99.1
Redundancy	12.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.6	293	0.2M lithium sulfate, 0.9M sodium di-hydrogen phosphate, 0.6M di-potassium hydrogen phosphate, 0.1M N-cyclohexyl-3-aminopropanesulfonic acid