6TYO

Salmonella Typhi PltB Homopentamer with Neu-5NAc-4OAc-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.87
Spacegroup name	P 21 21 21
Unit cell lengths	68.580, 98.208, 104.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.040
Rwork	0.161
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rhr
RMSD bond length	0.008
RMSD bond angle	1.076
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.090
High resolution limit [Å]	2.040	2.040
Rmerge	0.071	0.148
Number of reflections	45598	3219
<I/σ(I)>	37.4
Completeness [%]	99.8
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	26% PEG 1500 0.1M Sodium Acetate pH 4.4