6W1E

Crystal structure of Streptococcus thermophilus SHP pheromone receptor Rgg3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	110.360, 110.360, 54.933
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.787 - 2.202
R-factor	0.2695
Rwork	0.265
R-free	0.30860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yv6
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.081	0.051	0.471
Rmeas	0.086	0.054	0.503
Rpim	0.028	0.018	0.172
Number of reflections	19396	1059	826
<I/σ(I)>	8.5
Completeness [%]	98.0	99.4	86
Redundancy	9.4	9.1	7.5
CC(1/2)		0.998	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.2	298	100 mM sodium citrate, 300 mM Na/K tartrate, and 1.4 M ammonium sulfate