6CYY

Mycobacterium tuberculosis transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	144.871, 144.871, 97.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.104 - 2.506
R-factor	0.1852
Rwork	0.183
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cz6
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13rc1_2954)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.059	0.041	0.733
Rmeas	0.061	0.042	0.750
Rpim	0.013	0.009	0.157
Total number of observations	753694
Number of reflections	35534	1998	1773
<I/σ(I)>	9.2
Completeness [%]	98.4	99.9	100
Redundancy	21.2	19.6	22.6
CC(1/2)		0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Bicine pH9.5, Sodium Acetate, Zwittergent 3-14