7M0S

N-terminal domain of PmrA from 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	2019-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	32.398, 39.232, 91.266
Unit cell angles	90.00, 95.66, 90.00

Refinement procedure

Resolution	45.410 - 1.640
R-factor	0.1769
Rwork	0.174
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ont
RMSD bond length	0.010
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18rc6-3830)
Refinement software	PHENIX (1.18rc6-3830)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.080	0.162
Number of reflections	27942	1293
<I/σ(I)>	17.828	10.75
Completeness [%]	98.3	94.4
Redundancy	6.1	5.1
CC(1/2)	0.939	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350