5D19

Crystal structure of Mycobacterium tuberculosis Rv0302, form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	77.298, 118.888, 46.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.669 - 2.655
R-factor	0.2344
Rwork	0.233
R-free	0.26780
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.740
High resolution limit [Å]	2.650	5.700	2.650
Rmerge	0.105	0.073	0.334
Rmeas	0.118	0.083	0.374
Rpim	0.052	0.039	0.163
Total number of observations	56261
Number of reflections	12523
<I/σ(I)>	8.4
Completeness [%]	97.3	96.4	97.6
Redundancy	4.5	4.3	4.5
CC(1/2)		0.993	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	PEG 2000, K MES, sodium chloride, isopropyl alcohol