5D18

Crystal structure of Mycobacterium tuberculosis Rv0302, form I

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	2014-04-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	116.628, 116.628, 94.178
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.175 - 2.040
R-factor	0.1934
Rwork	0.192
R-free	0.21530
RMSD bond length	0.013
RMSD bond angle	1.336
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXDE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.110
High resolution limit [Å]	2.040	4.390	2.040
Rmerge	0.043	0.035	0.383
Rmeas	0.046	0.038	0.411
Rpim	0.017	0.014	0.147
Total number of observations	186721
Number of reflections	24588
<I/σ(I)>	15
Completeness [%]	99.8	99.2	100
Redundancy	7.6	7	7.6
CC(1/2)		0.998	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	PEG 400, HEPES, sodium chloride, isopropyl alcohol,