3DBO

Crystal structure of a member of the VapBC family of toxin-antitoxin systems, VapBC-5, from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	77
Detector technology	CCD
Collection date	2007-12-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	64.830, 64.830, 164.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.170 - 1.760
R-factor	0.21448
Rwork	0.213
R-free	0.24709
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.282
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.4.0061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.170	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.058	0.409
Number of reflections	19839
<I/σ(I)>	11.8	2.49
Redundancy	9.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	30% MPD, 0.1 M Na acetate pH 4.6, 0.2 M NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	30% MPD, 0.1 M Na acetate pH 4.6, 0.2 M NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	30% MPD, 0.1 M Na acetate pH 4.6, 0.2 M NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K