9G8U

Structure of the LipA:LipB complex from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	.97718
Spacegroup name	P 32 2 1
Unit cell lengths	133.686, 133.686, 139.715
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.296 - 3.174
Rwork	0.277
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.265
Data reduction software	XDS (20210323)
Data scaling software	XSCALE (20210323)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.296	3.370
High resolution limit [Å]	3.174	3.174
Number of reflections	23444	3992
<I/σ(I)>	5.57
Completeness [%]	96.2	97.4
Redundancy	19	4
CC(1/2)	0.997	0.214

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.5 M ammonium sulfate, 0.1 M Bis-Tris propane (pH 7.5), 5% polyethylene glycol (PEG) 400