5UHE

Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1

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	2016-08-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	151.531, 162.155, 195.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 4.039
R-factor	0.213
Rwork	0.210
R-free	0.25920
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	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.190
High resolution limit [Å]	4.050	8.710	4.050
Rmerge	0.216	0.172	0.716
Rmeas	0.230	0.182	0.781
Rpim	0.076	0.058	0.301
Total number of observations	295562
Number of reflections	39805
<I/σ(I)>	6.9
Completeness [%]	99.2	99.6	96.7
Redundancy	7.4	9	6
CC(1/2)		0.989	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	295	50 mM Tris-HCl, pH 8.3, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350