7EL3

Crystal structure of HpaR-DNA complex from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	110
Detector technology	CCD
Collection date	2020-07-04
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	47.423, 55.150, 57.072
Unit cell angles	81.14, 66.79, 67.97

Refinement procedure

Resolution	27.610 - 1.700
R-factor	0.1657
Rwork	0.164
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el2
RMSD bond length	0.009
RMSD bond angle	1.236
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.610	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.022
Rmeas	0.028
Rpim	0.017
Number of reflections	52505	2711
<I/σ(I)>	19.1	5.2
Completeness [%]	96.9
Redundancy	2.4
CC(1/2)	1.000	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	100 mM sodium HEPES; MOPS, pH 7.5, 20 mM DL-glutamic acid, 20 mM DL-alanine, 20 mM glycine, 20 mM DL-lysine, 20 mM DL-serine, 20 % (v/v) glycerol and 10 % (v/v) PEG 4000