8BN0

Bacteroides thetaiotaomicron surface protein BT1954 bound to

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9998
Spacegroup name	P 41 21 2
Unit cell lengths	79.050, 79.050, 155.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 1.330
R-factor	0.1424
Rwork	0.141
R-free	0.16720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dsm
RMSD bond length	0.012
RMSD bond angle	1.351
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.300	1.360
High resolution limit [Å]	1.330	1.330
Number of reflections	113086	11000
<I/σ(I)>	16.7	0.9
Completeness [%]	99.8
Redundancy	24.2
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1M Na malonate pH7.0 0.1M HEPES pH 7.0 0.5% Jefamine ED2001 pH7