8FN5

Structure of the truncated catalytic domain of Streptococcus mutans GtfD

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	2021-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	60.625, 126.765, 173.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.830 - 1.920
R-factor	0.2272
Rwork	0.226
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.315
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.830	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.100	0.797
Rmeas	0.116	0.930
Rpim	0.057	0.469
Number of reflections	97783	4973
<I/σ(I)>	7.7	1.7
Completeness [%]	95.6	98.5
Redundancy	3.6	3.7
CC(1/2)	0.996	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	295	26% PEG 2000MME, 0.1 M Bis-Tris