4ZH7

Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 21 21 21
Unit cell lengths	60.590, 91.770, 96.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.780 - 2.120
R-factor	0.17357
Rwork	0.171
R-free	0.22259
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zho
RMSD bond length	0.016
RMSD bond angle	1.747
Data reduction software	xia2
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.780	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.141	0.643
Number of reflections	29319
<I/σ(I)>	11.8
Completeness [%]	98.9
Redundancy	6.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	22% PEG 3350, 0.1 M PCTP (pH = 6.0)