8DL2

BoGH13ASus from Bacteroides ovatus bound to acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.078
Spacegroup name	P 1 21 1
Unit cell lengths	100.080, 125.310, 150.780
Unit cell angles	90.00, 102.11, 90.00

Refinement procedure

Resolution	38.600 - 1.990
R-factor	0.1776
Rwork	0.175
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dge
RMSD bond length	0.010
RMSD bond angle	1.613
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.086	1.050
Number of reflections	244819	23974
<I/σ(I)>	9.6
Completeness [%]	98.5
Redundancy	4.7
CC(1/2)	0.997	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10 mM acarbose, 0.1 M HEPES/MOPS, pH 7.5, 0.12 monosaccharides mix (Glc, Man, Gal, Fuc, Xyl, GlcNAc), 20% ethylene glycol, 10% PEG8000