5JA9

Crystal structure of the HigB2 toxin in complex with Nb6

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)	0.979030
Spacegroup name	P 1 21 1
Unit cell lengths	45.760, 60.400, 88.590
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	44.350 - 1.849
R-factor	0.1975
Rwork	0.195
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.404	49.404	1.960
High resolution limit [Å]	1.849	5.520	1.850
Rmerge	0.075	0.025	0.950
Number of reflections	38530
<I/σ(I)>	10.27	35.77	0.93
Completeness [%]	95.8	99.5	77.4
Redundancy	3.44
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Hepes pH 7.5, 10% (w/v) PEG8000, 8% (w/v) Ethylene glycol