4FXE

Crystal structure of the intact E. coli RelBE toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-29
Detector	MAR CCD 165 mm
Wavelength(s)	1.03911
Spacegroup name	P 61 2 2
Unit cell lengths	77.230, 77.230, 362.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.527 - 2.750
R-factor	0.2545
Rwork	0.253
R-free	0.28540
Structure solution method	MIRAS
RMSD bond length	0.004
RMSD bond angle	0.926
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.300		2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.064	0.010	0.010
Number of reflections	17822	270	1249
<I/σ(I)>	26.7	56.75	2.65
Completeness [%]	99.8	92.2	99.6
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	1.8 M ammonium sulphate, 0.1 M Na-acetate, pH 4.6, vapor diffusion, sitting drop, temperature 277K