9CX4

Acinetobacter baumannii BamA POTRAs 1-4, space group P1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97930
Spacegroup name	P 1
Unit cell lengths	56.524, 61.512, 85.900
Unit cell angles	97.59, 107.34, 112.45

Refinement procedure

Resolution	39.370 - 2.780
R-factor	0.239
Rwork	0.235
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.682
Data reduction software	HKL-2000 (3.27)
Data scaling software	HKL-2000 (v722)
Phasing software	MOLREP (1.19.2-4158)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.780	6.030	2.780
Rmerge	0.146	0.054	1.316
Rmeas	0.181	0.067	1.641
Rpim	0.105	0.039	0.963
Number of reflections	23229	2284	2379
<I/σ(I)>	6.1
Completeness [%]	95.2	93.5	97.6
Redundancy	2.5	2.5	2.4
CC(1/2)	0.992	0.996	0.284

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M Citric Acid, pH 4.0, and 0.8 M Ammonium sulfate