8U46

Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285 D161A-E163A inactive version

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	2022-03-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	70.309, 70.466, 50.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 2.100
R-factor	0.1633
Rwork	0.161
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.838
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmeas	0.188	0.570
Rpim	0.057	0.184
Number of reflections	14793	6926
<I/σ(I)>	10.6	0.7
Completeness [%]	98.3	97.9
Redundancy	6
CC(1/2)	0.985	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.03 M of each divalent cation 0.1 M MOPS/HEPES-Na pH 7.5