8F8K

The structure of Rv2173 from M. tuberculosis with IPP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2013-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953700
Spacegroup name	I 2 2 2
Unit cell lengths	65.659, 82.692, 189.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.200
R-factor	0.2098
Rwork	0.208
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.187	4.175
Rmeas	0.194	4.325
Rpim	0.051	1.124
Total number of observations	389059	33239
Number of reflections	26593	2255
<I/σ(I)>	15.4	0.9
Completeness [%]	99.9
Redundancy	14.6	14.7
CC(1/2)	0.999	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Tris, pH 7.5, 0.2 M calcium acetate, 20% PEG3350