6U14

VHH R303 C33A/C102A in complex withthe LRR domain of InlB

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	2017-05-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	47.280, 47.380, 99.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.284 - 1.300
R-factor	0.1603
Rwork	0.159
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dba
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.284	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.337
Rmeas	0.056	0.377
Rpim	0.025	0.165
Number of reflections	53995	5298
<I/σ(I)>	15.28	4.51
Completeness [%]	96.9	95.87
Redundancy	4.7
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.1 M Bis-Tris pH 4.8 with 2 M Ammonium sulfate.