7JI4

Universal stress protein (USP) domain of KdpD histidine kinase in complex with second messenger c-di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 43 21 2
Unit cell lengths	54.411, 54.411, 96.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.400 - 2.300
R-factor	0.2118
Rwork	0.208
R-free	0.24900
Structure solution method	SAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1-3660-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.112	0.088	0.444
Rmeas	0.115	0.091	0.454
Rpim	0.023	0.019	0.092
Total number of observations	164630
Number of reflections	6957	423	331
<I/σ(I)>	8.3
Completeness [%]	100.0	100	99.1
Redundancy	23.7	20.8	21.8
CC(1/2)		0.997	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.11 M lithium sulfate, 0.1 M Tris-HCl, pH 8.5, 21% PEG3350