5WZF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-07-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	48.810, 59.140, 79.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.007 - 1.750
R-factor	0.1725
Rwork	0.171
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.708
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.290	34.007	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.033	0.526
Rmeas	0.075	0.037	0.605
Rpim	0.035	0.017	0.294
Total number of observations	100456	3464	12872
Number of reflections	23389
<I/σ(I)>	11.8	27.1	2.5
Completeness [%]	98.5	94.7	95.6
Redundancy	4.3	4.4	4

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