5UHD

Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt 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	2016-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	152.079, 163.099, 197.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.476 - 4.010
R-factor	0.2138
Rwork	0.211
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
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	4.140
High resolution limit [Å]	4.000	8.600	4.000
Rmerge	0.096	0.045	0.875
Rmeas	0.101	0.047	0.931
Rpim	0.030	0.013	0.312
Total number of observations	464751
Number of reflections	41864
<I/σ(I)>	5.7
Completeness [%]	99.8	99.9	98.6
Redundancy	11.1	12	8.2
CC(1/2)		0.998	0.413

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