6U12

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	2019-02-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9794
Spacegroup name	P 43
Unit cell lengths	83.210, 83.210, 64.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.190 - 1.560
R-factor	0.1758
Rwork	0.174
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dbf
Data reduction software	xia2
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.920	64.920	1.600
High resolution limit [Å]	1.560	6.980	1.560
Rmerge	0.063	0.028	0.613
Rmeas	0.068	0.031	0.703
Rpim	0.027	0.012	0.335
Total number of observations	384474	4757	16105
Number of reflections	62702	753	4302
<I/σ(I)>	13.5	46.3	1.6
Completeness [%]	99.3	99.9	92.8
Redundancy	6.1	6.3	3.7
CC(1/2)	0.999	0.999	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.49 M Sodium Phosphate monobasic monohydrate, 0.91 M Potassium Phosphate dibasic pH 6.8.