8F8F

The structure of Rv2173 from M. tuberculosis (APO form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	77
Detector technology	CCD
Collection date	2013-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953700
Spacegroup name	P 21 21 2
Unit cell lengths	81.797, 190.713, 66.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.000
R-factor	0.2134
Rwork	0.212
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.454
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]	19.760	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.124	3.250
Rmeas	0.128	3.364
Rpim	0.033	0.865
Total number of observations	1039648	66769
Number of reflections	71090	4495
<I/σ(I)>	17.8	1.2
Completeness [%]	99.9
Redundancy	14.6	14.9
CC(1/2)	0.999	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Bicine-Tris, pH 8.3, 10% PEG4000, 24% glycerol, 0.03 M DC mix (Ca2+/Mg2+ mix)