5JAA

Crystal structure of the HigBA2 toxin-antitoxin complex

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	2012-05-03
Detector	PSI PILATUS 6M
Wavelength(s)	0.979030
Spacegroup name	P 21 21 2
Unit cell lengths	129.000, 119.800, 33.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.472 - 2.993
R-factor	0.2024
Rwork	0.200
R-free	0.24820
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.640
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.854	43.854	3.170
High resolution limit [Å]	2.990	8.820	2.990
Rmerge	0.061	0.024	0.537
Number of reflections	18810
<I/σ(I)>	10.88	30.44	1.64
Completeness [%]	93.6	87	92.5
Redundancy	2.19
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM bicine/Tris pH 8.5; 12.5%(w/v) PEG1000; 12.5%(w/v) PEG3350; 12.5%(w/w) MPD; 30 mM NaF; 30 mM NaBr; 30 mM NaI