5UH6

Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin

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	2016-04-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.929
Spacegroup name	P 21 21 21
Unit cell lengths	153.236, 164.889, 199.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.087 - 3.837
R-factor	0.2143
Rwork	0.212
R-free	0.26380
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.940
High resolution limit [Å]	3.800	8.180	3.800
Rmerge	0.134	0.078	0.800
Rmeas	0.142	0.082	0.901
Rpim	0.046	0.024	0.401
Total number of observations	355801
Number of reflections	47440
<I/σ(I)>	6.8
Completeness [%]	97.7	99.7	92.6
Redundancy	7.5	10.6	4.3
CC(1/2)		0.959	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350