9OJI

Structure of Streptococcus mutans GtfD with C-terminally truncated domain V in complex with acarbose

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	79.289, 94.588, 174.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.760 - 3.150
R-factor	0.257
Rwork	0.255
R-free	0.30670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.425
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]	79.290	3.370
High resolution limit [Å]	3.150	3.150
Rmerge	0.236	1.695
Rmeas	0.273	1.963
Rpim	0.134	0.966
Number of reflections	22720	4120
<I/σ(I)>	3.3	0.8
Completeness [%]	97.9
Redundancy	3.7	3.8
CC(1/2)	0.991	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	Molecular Dimensions PACT screen #29: 25% PEG 1500, 0.1M PCB buffer pH 8; the GtfD construct (168-1287) was co-crystallized with acarbose (final conc. 50mM).