9OIH

Structure of full-length Streptococcus mutans GtfD active site mutant (D465A, D584A) with active site glucose

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	2022-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	84.007, 97.309, 182.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.060 - 3.150
R-factor	0.2519
Rwork	0.249
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.487
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]	85.900	3.370
High resolution limit [Å]	3.150	3.150
Rmerge	0.237	2.327
Rmeas	0.255	2.527
Rpim	0.092	0.954
Number of reflections	25581	4616
<I/σ(I)>	7.9	1.9
Completeness [%]	96.9
Redundancy	6.8	6.4
CC(1/2)	0.990	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	Molecular Dimension LMB screen #44: 24% PEG 3350, 2% PEG 400, 0.05M Hepes pH 6.8, 0.15M NaCl; apo crystals of mutant GtfD-FL were soaked with 50mM sucrose