7QHV

Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	210
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97933
Spacegroup name	P 1 21 1
Unit cell lengths	53.215, 69.589, 104.574
Unit cell angles	90.00, 91.54, 90.00

Refinement procedure

Resolution	57.995 - 2.140
Rwork	0.203
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292119394
RMSD bond length	0.008
RMSD bond angle	1.504
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]	69.590	69.590	2.200
High resolution limit [Å]	2.140	9.080	2.140
Rmerge	0.093	0.063	0.305
Rmeas	0.124	0.084	0.406
Rpim	0.081	0.055	0.265
Number of reflections	42301	590	3462
<I/σ(I)>	8.9
Completeness [%]	99.9
Redundancy	4.1	3.8	4.1
CC(1/2)	0.992	0.983	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	279	0.2M L-Na-glutamate, alanine, glycine, lysine hydrochloride, serine, 0.1M TRIS, bicine, 12.5% MPD, PEG1000, PEG3350