5NH2

Bartonella henselae BepA Fic domain in complex with its antitoxin homologue BiaA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-06-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	48.034, 56.152, 136.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.375 - 2.321
R-factor	0.1872
Rwork	0.179
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vza
RMSD bond length	0.013
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	43.375
High resolution limit [Å]	2.321
Number of reflections	15699
<I/σ(I)>	18.08
Completeness [%]	94.0
Redundancy	7.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	296	0.2 M di-Sodium malonate, 20% w/v PEG3350