9IYZ

Crystal Structure of the Acinetobacter baumannii LysR family regulator AceR DNA-binding domain (P321)

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	2021-11-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 3 2 1
Unit cell lengths	87.140, 87.140, 73.362
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.570 - 1.990
R-factor	0.2215
Rwork	0.218
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.964
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]	75.004	1.742
High resolution limit [Å]	1.712	1.712
Rmerge	0.114	0.904
Rmeas	0.119	0.983
Rpim	0.036	0.377
Number of reflections	21957	5064
<I/σ(I)>	10.5
Completeness [%]	99.7
Redundancy	10.6
CC(1/2)	0.998	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.08 M Magnesium acetate tetrahydrate, 0.1 M Sodium HEPES pH 7.5, 16% v/v PEG Smear Low