5UHA

Crystal structure of Mycobacterium tuberculosis transcription initiation complex

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	150.197, 163.481, 195.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.913 - 3.906
R-factor	0.2149
Rwork	0.211
R-free	0.27910
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	4.040
High resolution limit [Å]	3.900	8.390	3.900
Rmerge	0.219	0.110
Rmeas	0.226	0.113
Rpim	0.057	0.025	0.387
Total number of observations	659212
Number of reflections	44080
<I/σ(I)>	3.6
Completeness [%]	99.2	99	99.4
Redundancy	15	20	8.2
CC(1/2)		0.994	0.144

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