5UHB

Crystal structure of Mycobacterium tuberculosis transcription initiation complex 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)	0.927
Spacegroup name	P 21 21 21
Unit cell lengths	154.190, 164.234, 200.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.782 - 4.290
R-factor	0.2122
Rwork	0.208
R-free	0.26670
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	4.400
High resolution limit [Å]	4.250	9.140	4.250
Rmerge	0.066	0.029	0.543
Rmeas	0.072	0.032	0.609
Rpim	0.028	0.012	0.270
Total number of observations	198467
Number of reflections	33869
<I/σ(I)>	8.5
Completeness [%]	97.0	98.2	89
Redundancy	5.9	6.5	4.5
CC(1/2)		0.996	0.697

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