6A7V

Crystal structure of Mycobacterium tuberculosis VapBC11 toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0723
Spacegroup name	P 21 21 21
Unit cell lengths	50.555, 127.007, 151.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.250 - 1.670
R-factor	0.1843
Rwork	0.183
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4chg
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (3.3.22)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.252	47.946	1.760
High resolution limit [Å]	1.670	5.280	1.670
Rmerge		0.021	0.881
Rmeas	0.050	0.024	0.999
Rpim	0.023	0.012	0.461
Total number of observations	517561	16587	71241
Number of reflections	113379	3887	16176
<I/σ(I)>	15.7	51.2	1.4
Completeness [%]	99.7	99.2	98.8
Redundancy	4.6	4.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	0.1M Ammonium Sulphate, 0.3M Sodium formate, 0.1 Sodium cacodylate, 3 % w/v PGA-LM, 30% PEG400 (pH 6.5)