6GBG

Helicobacter pylori adhesin HopQ type I bound to the N-terminal domain of human CEACAM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	94.430, 94.430, 119.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.520 - 2.800
R-factor	0.20471
Rwork	0.201
R-free	0.26328
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp2
RMSD bond length	0.012
RMSD bond angle	1.457
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.520	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.147
Rpim	0.047	0.538
Number of reflections	15692	760
<I/σ(I)>	13.6	1.6
Completeness [%]	100.0	99.6
Redundancy	10.5	10.7
CC(1/2)	0.998	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Condition B3 of the Morpheus HT-96 screen (Molecular Dimensions)(0.09 M Halogens mix (0.3M Sodium fluoride; 0.3M Sodium bromide; 0.3M Sodium iodide), 0.1 M Buffer System 1 (1.0M Imidazole; MES monohydrate (acid); pH 6.5), 50 % v/v Precipitant Mix 3 (40% v/v Glycerol; 20% w/v PEG 4000)