6YHM

Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	41.981, 50.160, 69.728
Unit cell angles	90.00, 98.72, 90.00

Refinement procedure

Resolution	31.970 - 1.130
R-factor	0.1683
Rwork	0.167
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hq0
RMSD bond length	0.006
RMSD bond angle	0.928
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.18rc4_3812)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.920	68.920	1.200
High resolution limit [Å]	1.130	3.590	1.130
Rmerge	0.036	0.021	0.405
Rmeas	0.043	0.026	0.490
Rpim	0.024	0.015	0.272
Total number of observations	303327
Number of reflections	100708	2464	15327
<I/σ(I)>	16
Completeness [%]	95.3	71.6	99.7
Redundancy	3	2.7	2.9
CC(1/2)	0.999	0.998	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M ammonium fluoride, 20 % (w/v) PEG 3350