5LP2

Adhesin domain of the type 1 HopQ of Helicobacter pylori strain G27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	57.700, 57.700, 285.600
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	49.400 - 2.600
R-factor	0.20912
Rwork	0.208
R-free	0.23617
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f7k
RMSD bond length	0.014
RMSD bond angle	1.709
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.147	1.210
Number of reflections	55541
<I/σ(I)>	7.3	0.9
Completeness [%]	99.7	98.2
Redundancy	4.7	4.5
CC(1/2)	0.993	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.12M alcohols (0.02M 1,6-Hexanediol; 0.02M 1-Butanol; 0.02M 1,2-Propanediol; 0.02M 2-Propanol; 0.02M 1,4-Butanediol; 0.02M 1,3-Propanediol), 0.1 M Tris (base)/BICINE pH 8.5, 20% v/v PEG 500* MME; 10 % w/v PEG 20000