5UHG

Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and 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)	0.925
Spacegroup name	P 21 21 21
Unit cell lengths	151.434, 162.147, 194.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.242 - 3.971
R-factor	0.2245
Rwork	0.223
R-free	0.26010
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	0.243	0.145	0.801
Rmeas	0.258	0.154	0.862
Rpim	0.087	0.050	0.313
Total number of observations	344418
Number of reflections	41653
<I/σ(I)>	4.6
Completeness [%]	99.8	99.7	99.9
Redundancy	8.3	9.1	7.4
CC(1/2)		0.987	0.490

Crystallization Conditions

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