6GBH

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

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	2017-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	79.820, 169.670, 198.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.050 - 2.590
R-factor	0.22099
Rwork	0.218
R-free	0.27404
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp2 2gk2
RMSD bond length	0.014
RMSD bond angle	1.739
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.050	2.660
High resolution limit [Å]	2.590	2.590
Rmerge	0.123
Rpim	0.043
Number of reflections	42047	5934
<I/σ(I)>	11.7	0.9
Completeness [%]	99.6	97.3
Redundancy	9.2	9
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Condition A4 of the JB Screen Classic HTS II screen (Jena Bioscience) (1 M Ammonium sulfate, 100 mM Tris; pH 8.5)