8UWV

Crystal structure of BT3984 SusD-like from Bacteroides thetaiotaomicron VPI-5482 at 1.1 A resolution (Space group P21)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 1 21 1
Unit cell lengths	56.370, 82.592, 100.265
Unit cell angles	90.00, 98.88, 90.00

Refinement procedure

Resolution	46.180 - 1.080
R-factor	0.1218
Rwork	0.121
R-free	0.13900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.777
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.180	1.119
High resolution limit [Å]	1.080	1.080
Rmerge	0.043	0.210
Rmeas	0.048	0.254
Number of reflections	355545	15911
<I/σ(I)>	19.05	3.63
Completeness [%]	91.5	41.19
Redundancy	2.5	1.3
CC(1/2)	0.999	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350 (INDEX G-11)