9OUE

Structure of full-length Streptococcus mutans GtfD in complex with dextran 5000 in domain V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	88.300, 94.876, 182.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.500 - 2.350
R-factor	0.2207
Rwork	0.218
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.726
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.380	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.152	2.393
Rmeas	0.164	2.561
Rpim	0.059	0.903
Number of reflections	64523	4494
<I/σ(I)>	9.6	1.1
Completeness [%]	99.7
Redundancy	7.6	7.9
CC(1/2)	0.997	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	Molecular Dimensions PACT condition #29: 25% PEG 1500, 0.1 M PCB buffer pH 8; 50 mM (final conc.) dextran 5000 (500 mM stock soln. in water) was added to 10.2 mg/ml GtfD-FL (168-1462) for co-crystallization