7EL2

Crystal structure of apo-HpaR from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	110
Detector technology	CCD
Collection date	2019-11-13
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	44.069, 78.932, 86.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.690 - 2.200
R-factor	0.2303
Rwork	0.229
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aiq
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2-3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.690	2.700
High resolution limit [Å]	2.200	2.200
Rmerge	0.072	0.392
Rmeas	0.078	0.457
Rpim	0.030	0.232
Number of reflections	15795	1323
<I/σ(I)>	11.5	1.8
Completeness [%]	99.7	100
Redundancy	7	7.1
CC(1/2)	0.998	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	100 mM sodium acetate, 150 mM CaCl2 and 20% (w/v) PEG6000)