6T8I

Crystal structure of wild type EndoBT-3987 from Bacteroides thetaiotamicron VPI-5482

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979180
Spacegroup name	P 31 2 1
Unit cell lengths	74.578, 74.578, 133.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.143 - 1.400
R-factor	0.1639
Rwork	0.163
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3poh
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.143	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.044	0.528
Number of reflections	85242	8417
<I/σ(I)>	24.5	3.7
Completeness [%]	100.0
Redundancy	9.8
CC(1/2)	1.000	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	200 mM sodium bromide, and 20% (w/v) PEG 3350