9O9P

Structure of wild type full-length Streptococcus mutans GtfD (GTF-S)

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	2021-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	78.113, 94.829, 174.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.250
R-factor	0.2097
Rwork	0.207
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.844
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]	64.250	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.100	0.853
Rmeas	0.115	0.988
Rpim	0.055	0.487
Number of reflections	61235	4549
<I/σ(I)>	7	1.5
Completeness [%]	98.5
Redundancy	3.8	3.9
CC(1/2)	0.997	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	Molecular Dimensions LMB #44 condition: 24% PEG3350, 2% PEG400, 0.05M Hepes pH 6.8, 0.15M NaCl