3G5O

The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	77
Detector technology	CCD
Collection date	2008-06-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	75.540, 79.481, 86.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.420 - 2.000
R-factor	0.20453
Rwork	0.202
R-free	0.24553
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.497
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.420	2.070
High resolution limit [Å]	2.000	2.000
Rmerge		0.540
Number of reflections	32091
<I/σ(I)>	24.4	4.5
Redundancy	12.4	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	25% PEG MME 2000, 0.15 M Potassium thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	25% PEG MME 2000, 0.15 M Potassium thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	25% PEG MME 2000, 0.15 M Potassium thiocyanate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K