8DL1

BoGH13ASus-E523Q from Bacteroides ovatus bound to maltoheptaose

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	2020-02-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	99.680, 128.640, 149.760
Unit cell angles	90.00, 105.37, 90.00

Refinement procedure

Resolution	47.930 - 2.090
R-factor	0.179
Rwork	0.177
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dge
RMSD bond length	0.009
RMSD bond angle	1.607
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]	47.930	2.170
High resolution limit [Å]	2.090	2.090
Rmerge	0.074	1.120
Number of reflections	212239	21205
<I/σ(I)>	10
Completeness [%]	98.7
Redundancy	3.9
CC(1/2)	0.998	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% MPD, 12% PEG1000, 12% PEG3350, 0.1M Tris/Bicine pH 8.5, 0.08M ethylene glycols mix