7YZU

Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with SQMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	66.270, 99.380, 53.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.330 - 1.590
Rwork	0.238
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	70FY
RMSD bond length	0.009
RMSD bond angle	1.507
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.330	47.280	1.620
High resolution limit [Å]	1.590	8.710	1.590
Rmerge	0.280
Rmeas	0.302
Rpim	0.148
Number of reflections	48233	48233	2270
<I/σ(I)>	7.7
Completeness [%]	99.4
Redundancy	6.9	6.9	5.6
CC(1/2)	0.980	0.980	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.3 M sodium acetate, 0.1 M BIS-TRIS (pH 5.5) and 35% PEG 2000 MME