7FIB

Crystal structure of the regulatory domain of AceR in Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.919
Spacegroup name	P 65
Unit cell lengths	125.215, 125.215, 61.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.880 - 2.100
R-factor	0.2068
Rwork	0.205
R-free	0.23090
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	CRANK2
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.059	0.034	1.557
Rmeas	0.060	0.035	1.598
Rpim	0.012	0.007	0.352
Number of reflections	62595	1686	1599
<I/σ(I)>	5.5
Completeness [%]	100.0	100	100
Redundancy	12.2	12.6	9.85
CC(1/2)		1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10% (w/v) polyethylene glycol 4000, 0.05M sodium cacodylate trihydrate pH 6.0, 0.1M sodium chloride, 0.0005M spermine