9O9Q

Structure of full-length Streptococcus mutans GtfD active site mutant (D465S, D584S)

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	2022-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	80.389, 99.284, 177.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.090 - 1.850
R-factor	0.1961
Rwork	0.194
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.760	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.098	1.368
Rmeas	0.109	1.504
Rpim	0.045	0.619
Number of reflections	120947	5948
<I/σ(I)>	9.9	1.5
Completeness [%]	99.4
Redundancy	5.6	5.8
CC(1/2)	0.997	0.531

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