6CZ6

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	CCD
Collection date	2015-03-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	96.188, 142.365, 145.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.678 - 2.700
R-factor	0.1835
Rwork	0.182
R-free	0.21200
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
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	0.108	0.059	1.132
Rmeas	0.117	0.064	1.217
Rpim	0.043	0.024	0.446
Total number of observations	412165
Number of reflections	55505	2987	2747
<I/σ(I)>	6.9
Completeness [%]	100.0	99.7	100
Redundancy	7.4	6.9	7.4
CC(1/2)		0.998	0.718

Crystallization Conditions

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