6VVT

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

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	2016-11-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	129.217, 162.212, 136.295
Unit cell angles	90.00, 111.36, 90.00

Refinement procedure

Resolution	49.746 - 2.901
R-factor	0.2408
Rwork	0.240
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
RMSD bond length	0.002
RMSD bond angle	0.440
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]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.155	0.044
Rmeas	0.173	0.049
Rpim	0.078	0.021	6.856
Total number of observations	527429
Number of reflections	112933	11728	9577
<I/σ(I)>	4.9
Completeness [%]	96.6	98.8	82.2
Redundancy	4.7	5	3.1
CC(1/2)		0.999	0.123

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