5J9I

Crystal structure of the HigA2 antitoxin C-terminal domain

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	2012-10-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.980110
Spacegroup name	C 1 2 1
Unit cell lengths	115.360, 61.160, 73.850
Unit cell angles	90.00, 106.69, 90.00

Refinement procedure

Resolution	38.507 - 1.797
R-factor	0.1961
Rwork	0.194
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.362
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]	45.854	45.854	1.910
High resolution limit [Å]	1.797	5.360	1.800
Rmerge	0.053	0.036	0.409
Number of reflections	44925
<I/σ(I)>	12.88	27.25	2.27
Completeness [%]	97.5	97.9	91.4
Redundancy	3.99
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris HCl pH 8.5, 200 mM calcium chloride, 20% PEG 4000