6YHN

Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	48.271, 90.531, 120.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.265 - 1.800
R-factor	0.1598
Rwork	0.158
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Corresponding fragment from the full-length toxin
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14rc1_3177)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.270	48.270	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.257	0.065	3.560
Rmeas	0.261	0.067	3.653
Rpim	0.046	0.012	0.815
Number of reflections	49960	488	2885
<I/σ(I)>	12.4
Completeness [%]	99.9	99.6	98.6
Redundancy	32.7	29.9	19.8
CC(1/2)	0.982	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.24 M magnesium chloride, 22.5 % (w/v) PEG 2000 MME, 1 mM ATP