5WEC

Structure of an alternative pilotin from the type II secretion system of Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	54.890, 60.120, 73.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.619 - 1.563
R-factor	0.1834
Rwork	0.182
R-free	0.20890
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.725
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170601)
Data scaling software	XSCALE (VERSION Jun 1, 2017 BUILT=20170601)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12rc1_2815)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.619	46.619	1.600
High resolution limit [Å]	1.560	6.990	1.560
Rmerge	0.099	0.060	0.954
Rmeas	0.108	0.066	1.092
Number of reflections	34736	456	2082
<I/σ(I)>	10.55	24.03	1.38
Completeness [%]	98.5	99.1	82.2
Redundancy	6.347	5.75	3.98
CC(1/2)	0.996	0.996	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1M HEPES PH 6.5, 10% PEG6000, FINAL PH 7.0