5WZ4

Crystal structure of Mycobacterium tuberculosis VapC20 (Rv2549c), Sarcin-Ricin loop cleaving toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97885
Spacegroup name	P 21 21 21
Unit cell lengths	48.820, 59.280, 78.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.317 - 1.775
R-factor	0.1765
Rwork	0.175
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.683
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	SOLVE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.620	18.324	1.870
High resolution limit [Å]	1.775	5.610	1.780
Rmerge		0.031	0.601
Rmeas	0.128	0.055	0.802
Rpim	0.060	0.026	0.383
Total number of observations	98358
Number of reflections	22721
<I/σ(I)>	7.5	16.1	1.1
Completeness [%]	99.9	97.2	100
Redundancy	4.3	3.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2000