9OJH

Structure of full-length Streptococcus mutans GtfD with inhibitor maltose in active site

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	2021-10-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	80.390, 99.121, 177.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.730 - 2.150
R-factor	0.2276
Rwork	0.226
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.737
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]	88.560	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.146	2.242
Rmeas	0.154	2.367
Rpim	0.050	0.748
Number of reflections	77767	4580
<I/σ(I)>	8.9	1.2
Completeness [%]	100.0
Redundancy	9.4	9.8
CC(1/2)	0.998	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	Molecular Dimensions LMB screen #44: 24% PEG 3350, 2% PEG 400, 0.05M Hepes pH 6.8, 0.15M NaCl; apo crystals were soaked with 10mM maltose.