8J4N

Crystal Structure of the Acinetobacter baumannii LysR family regulator AceR effector-binding domain (APO FORM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-09-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	77.520, 101.219, 57.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.380 - 2.230
R-factor	0.1995
Rwork	0.198
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.004
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.540	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.083	0.703
Rmeas	0.094	0.794
Rpim	0.043	0.364
Number of reflections	22957	3285
<I/σ(I)>	12.3
Completeness [%]	99.7	99.9
Redundancy	4.7
CC(1/2)	0.998	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	1.5 M Ammonium sulfate, 0.1 M Tris-HCl pH8.5