5YPZ

Crystal structure of minor pilin CofB from CFA/III complexed with N-terminal peptide fragment of CofJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-29
Detector	RIGAKU SATURN A200
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	157.216, 157.216, 118.132
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.187 - 3.521
R-factor	0.1958
Rwork	0.192
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ax6
RMSD bond length	0.004
RMSD bond angle	0.777
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	3.580
High resolution limit [Å]	3.520	9.540	3.520
Rmerge	0.290	0.064	1.863
Rmeas	0.304	0.067	1.958
Rpim	0.091	0.021	0.601
Total number of observations	229612
Number of reflections	20699	1077	1035
<I/σ(I)>	4.7
Completeness [%]	100.0	99.7	100
Redundancy	11.1	10.6	10.6
CC(1/2)		0.998	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM CAPS pH 10.5, 20% PEG8000, 200mM NaCl