6YHK

Crystal structure of full-length CNFy (C866S) 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	2016-04-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	I 21 21 21
Unit cell lengths	70.153, 180.416, 220.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.078 - 2.700
R-factor	0.2067
Rwork	0.205
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Models of N-terminal and C-terminal domains
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.14rc1_3177)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.080	47.080	2.820
High resolution limit [Å]	2.700	9.350	2.700
Rmerge	0.106	0.028	1.805
Rmeas	0.108	0.028	1.847
Rpim	0.023	0.006	0.392
Total number of observations	835740
Number of reflections	38996	1041	4698
<I/σ(I)>	23.3
Completeness [%]	99.9	99.3	99.5
Redundancy	21.4	20.6	22
CC(1/2)	1.000	1.000	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.1	293	1.4 M ammonium sulfate, 0.13 M lithium acetate, 0.1 M HEPES/NaOH pH 7.1