8F8L

The structure of Rv2173 from M. tuberculosis with DMAP 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	2016-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953700
Spacegroup name	I 2 2 2
Unit cell lengths	66.841, 83.844, 188.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.580 - 2.200
R-factor	0.2124
Rwork	0.211
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.377
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]	19.580	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.229	2.696
Rmeas	0.238	2.861
Rpim	0.064	0.923
Total number of observations	365883	18434
Number of reflections	26527	2016
<I/σ(I)>	12.6	0.9
Completeness [%]	97.2
Redundancy	13.8	9.1
CC(1/2)	0.996	0.238

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Bicine-Tris, pH 8.3, 12.5% PEG4000, 25% glycerol, 0.03 M CA mix Ca/Mg