4NN1

Crystal Structure of transcriptional regulator Rv1219c of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 4 3 2
Unit cell lengths	151.876, 151.876, 151.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.027 - 2.990
R-factor	0.2187
Rwork	0.216
R-free	0.27660
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.180
High resolution limit [Å]	2.990	5.430	2.990
Rmerge	0.060	0.026	0.451
Number of reflections	6216
<I/σ(I)>	13.5
Completeness [%]	98.6	95.7	99.6
Redundancy	2.7	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	5% Jeffamine M-600, 0.1M Na-citrate, 0.6M NaCl, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K