6YHL

Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704

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	2014-08-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	94.425, 99.896, 131.357
Unit cell angles	90.00, 95.86, 90.00

Refinement procedure

Resolution	54.679 - 3.277
R-factor	0.2417
Rwork	0.240
R-free	0.26460
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.900	99.900	3.450
High resolution limit [Å]	3.277	10.360	3.280
Rmerge	0.088	0.022	0.793
Rmeas	0.095	0.023	0.856
Rpim	0.036	0.009	0.319
Number of reflections	37569	1246	5459
<I/σ(I)>	17.8
Completeness [%]	100.0	99.3	100
Redundancy	6.9	7.1	7.1
CC(1/2)	0.999	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M ammonium acetate, 28-32 % (w/v) PEG 4000, 0.1 M tri-sodium citrate pH 5.9 - 6.2
2	VAPOR DIFFUSION		293	19-20 % ammonium sulfate, 19-21 % (w/v) PEG 5000 MME, 0.1 M Tis/HCl pH 7.3-7.9