6KML

2.09 Angstrom resolution crystal structure of tetrameric HigBA toxin-antitoxin complex from E.coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	57.378, 85.873, 59.408
Unit cell angles	90.00, 90.85, 90.00

Refinement procedure

Resolution	48.852 - 2.095
R-factor	0.1973
Rwork	0.195
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifg
RMSD bond length	0.008
RMSD bond angle	0.931
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.852	2.105
High resolution limit [Å]	2.090	2.095
Number of reflections	32973	939
<I/σ(I)>	9.75
Completeness [%]	97.1
Redundancy	3.449
CC(1/2)	0.998	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M KCl, 0.05M Tris-Cl pH 7.5, 0.05M MgCl2, 15% PEG 3350