6D2S

Mycobacterium tuberculosis transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	74.999, 81.724, 95.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.095 - 1.819
R-factor	0.1781
Rwork	0.176
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cz6
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.13rc1_2954)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.820	4.940	1.820
Rmerge	0.043	0.030	0.241
Rmeas	0.045	0.033	0.260
Rpim	0.015	0.011	0.095
Total number of observations	252505
Number of reflections	26651	1431	1274
<I/σ(I)>	20.5
Completeness [%]	99.8	99	97.7
Redundancy	9.5	8.6	7.3
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	CaCl2, HEPES pH 7.5, PEG 3,350