5W4M

Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2(C45S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.1808
Spacegroup name	I 4
Unit cell lengths	174.982, 174.982, 57.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.745 - 2.388
R-factor	0.1949
Rwork	0.193
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yv6
RMSD bond length	0.003
RMSD bond angle	0.445
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.388	6.510	2.388
Rmerge	0.106	0.067	0.828
Rmeas	0.115	0.072	0.891
Rpim	0.042	0.027	0.327
Number of reflections	34868		1725
<I/σ(I)>	13.1		3.4
Completeness [%]	100.0	99.6	100
Redundancy	7.5	7.2	7.4
CC(1/2)		0.996	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	293	350mM KSCN, 100mM Bis-Tris propane pH 7.75, 18% PEG 3350