5SV2

Toxin VapC21 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.2398
Spacegroup name	C 1 2 1
Unit cell lengths	61.339, 44.351, 56.530
Unit cell angles	90.00, 101.72, 90.00

Refinement procedure

Resolution	30.030 - 1.310
R-factor	0.1428
Rwork	0.142
R-free	0.15970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h87
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.678	35.678	1.390
High resolution limit [Å]	1.310	3.910	1.310
Rmerge	0.036	0.029	0.384
Number of reflections	67560
<I/σ(I)>	22.4	53.3	2.5
Completeness [%]	96.2	99.8	84
Redundancy	8.3
CC(1/2)	0.999	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M Hepes pH 7.5, 8% v/v ethylene glycol, 10% w/v polyethylene glycol 8,000