9CX5

Acinetobacter baumannii BamA POTRAs 1-4, space group P3221

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	2021-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	94.917, 94.917, 220.297
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.460 - 2.600
Rwork	0.216
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000 (v722)
Data scaling software	HKL-2000 (v722)
Phasing software	AutoSol
Refinement software	PHENIX (1.21)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.114	0.061	1.232
Rmeas	0.117	0.063	1.264
Rpim	0.026	0.015	0.281
Total number of observations	713016
Number of reflections	36342	3867	3583
<I/σ(I)>	4
Completeness [%]	100.0	100	100
Redundancy	19.6	18.8	19.8
CC(1/2)	0.998	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.2 M DL-Malic acid pH 7.0, 0.1 M BIS-TRIS propane pH 7.0