9OUB

Structure of full-length Streptococcus mutans GtfD in complex with dextran 1000 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	2021-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.841, 95.485, 175.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.580 - 2.350
R-factor	0.2405
Rwork	0.238
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.705
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]	84.470	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.150	2.240
Rmeas	0.162	2.421
Rpim	0.061	0.909
Number of reflections	58878	4576
<I/σ(I)>	6.4	0.7
Completeness [%]	97.4
Redundancy	6.8	7
CC(1/2)	0.996	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	apo crystals of GtfD-FL in Molecular Dimensions LMB condition #44 (24% PEG 3350, 2% PEG 400, 0.05 M Hepes PH 6.8, 0.15 M NaCl) were soaked with 10 mM (final conc.) of dextran 1000 (100 mM stock soln. in water)