8XSH

Crystal structure of the Actinobacillus minor NM305 glucosyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	93.592, 44.312, 90.754
Unit cell angles	90.00, 113.75, 90.00

Refinement procedure

Resolution	46.487 - 1.850
Rwork	0.156
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold(AF-B3H2N1-F1)
RMSD bond length	0.008
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.020	0.099
Number of reflections	29001	1537
<I/σ(I)>	38.7
Completeness [%]	98.9
Redundancy	1.9
CC(1/2)	0.998	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5, 0.2 M sodium formate, 14% (w/v) PEG3350