8T8D

Structure of Helicobacter pylori adhesin A, HpaA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95375
Spacegroup name	P 1 21 1
Unit cell lengths	82.540, 59.810, 94.030
Unit cell angles	90.00, 100.85, 90.00

Refinement procedure

Resolution	48.130 - 2.900
R-factor	0.2439
Rwork	0.241
R-free	0.30630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.130	48.130	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.200	0.080	0.821
Number of reflections	20236	2081	2003
<I/σ(I)>	12.5
Completeness [%]	99.6		99.75
Redundancy	6.9
CC(1/2)	0.990	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.1 M sodium acetate pH 4.5, 23% PEG 3350 (w/v) and 6% glycerol (w/v)