5MJE

Crystal structure of the HigB2 toxin in complex with Nb8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	57.290, 36.570, 60.800
Unit cell angles	90.00, 104.05, 90.00

Refinement procedure

Resolution	46.469 - 2.599
R-factor	0.2307
Rwork	0.227
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.500
High resolution limit [Å]	2.599
Number of reflections	7617
<I/σ(I)>	5.39
Completeness [%]	98.0
Redundancy	2.52
CC(1/2)	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium sulfate; 0,1 M sodium acetate pH 4.6; 30% PEG monomethyl ether 2000