6BR7

Beryllium fluorinated receiver domain of BfmR from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 65
Unit cell lengths	52.163, 52.163, 197.566
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.038 - 1.860
R-factor	0.1515
Rwork	0.149
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hm6
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.038	1.890
High resolution limit [Å]	1.860	1.860
Number of reflections	24771
<I/σ(I)>	5.49
Completeness [%]	97.1
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10% 1,4-dioxane