5UHC

Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA 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)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	150.050, 167.390, 195.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.807 - 3.796
R-factor	0.2072
Rwork	0.204
R-free	0.26690
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

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	0.169	0.091	0.903
Rmeas	0.178	0.095	0.965
Rpim	0.053	0.026	0.331
Total number of observations	476036
Number of reflections	48275
<I/σ(I)>	6.8
Completeness [%]	97.4	99.4	94.3
Redundancy	9.9	12.4	7.5
CC(1/2)		0.985	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	50 mM Tris-HCl, pH 8.5, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350