4XA2

Structure of the Major Type IV pilin of Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-26
Detector	PSI PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	41.018, 128.300, 92.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.020 - 1.980
Rwork	0.181
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	XDS
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.250	46.250	2.020
High resolution limit [Å]	1.980	9.050	1.980
Rmerge	0.232	0.212	1.552
Rpim	0.095	0.090	1.101
Total number of observations	362459	4820	2442
Number of reflections	53332
<I/σ(I)>	12.3	19.5	2
Completeness [%]	79.7	99.1	19.6
Redundancy	6.8	6.6	2.7
CC(1/2)	0.983	0.872	0.110

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1M Bis-Tris, 22.5% PEG 3350, 0.3M 1,6 Hexandediol