7OFY

Crystal structure of SQ binding protein from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953664
Spacegroup name	P 1 21 1
Unit cell lengths	53.795, 137.802, 54.068
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	47.181 - 1.700
R-factor	0.1511
Rwork	0.149
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dtq
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.190	47.190	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.075	0.020	0.843
Rmeas	0.090	0.023	1.000
Rpim	0.048	0.012	0.532
Total number of observations	254947	1743	13319
Number of reflections	74322	518	3912
<I/σ(I)>	9.8	35.9	1.4
Completeness [%]	98.3	98	96.8
Redundancy	3.4	3.4	3.4
CC(1/2)	0.998	0.999	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	32% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris chloride, pH9