5IHJ

Fusion of Maltose-binding Protein and PilA from Acinetobacter baumannii BIDMC57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	107.1
Detector technology	PIXEL
Collection date	2016-02-21
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	175.070, 56.636, 49.997
Unit cell angles	90.00, 91.60, 90.00

Refinement procedure

Resolution	43.930 - 2.200
Rwork	0.211
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.790	4.860	1.790
Rmerge	0.351	0.153	5.671
Rmeas	0.392	0.167	7.583
Rpim	0.169	0.067	4.995
Total number of observations	127780
Number of reflections	23793
<I/σ(I)>	4.6
Completeness [%]	71.4	97.7	10.9
Redundancy	4	6.2	1.1
CC(1/2)		0.978	0.187

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1M Bicine/Trizma pH 8.0 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD 0.06M CaCl 0.06M MgCl 50 mM NaCl 3% EtOH