6CYJ

Mycobacterium tuberculosis transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	144.485, 144.485, 96.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 2.699
R-factor	0.187
Rwork	0.184
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cz6
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.13rc1_2954)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.078	0.044	1.052
Rmeas	0.080	0.045	1.083
Rpim	0.019	0.011	0.258
Total number of observations	475646
Number of reflections	27986	1589	1414
<I/σ(I)>	7.7
Completeness [%]	97.8	99.7	100
Redundancy	17	15.7	17.1
CC(1/2)		0.999	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	290	Bicine pH9.5, Sodium Acetate, Zwittergent 3-14