6VVV

Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	129.748, 162.344, 137.155
Unit cell angles	90.00, 111.27, 90.00

Refinement procedure

Resolution	49.830 - 3.200
R-factor	0.2348
Rwork	0.234
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (v0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.147	0.036	2.818
Rmeas	0.167	0.040	3.320
Rpim	0.077	0.018	1.711
Total number of observations	372558
Number of reflections	85082	8654	7994
<I/σ(I)>	4.7
Completeness [%]	98.3	98.3	93
Redundancy	4.4	4.5	3.2
CC(1/2)		0.999	0.185

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M Bis-Tris, pH 6.0, 0.2 M lithium sulfate, 20% w/v PEG3350, 2.5% v/v ethylene glycol, 1% v/v DMSO