6VVS

Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with 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	2016-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	132.461, 162.908, 139.325
Unit cell angles	90.00, 107.32, 90.00

Refinement procedure

Resolution	54.665 - 3.112
R-factor	0.2168
Rwork	0.216
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
RMSD bond length	0.003
RMSD bond angle	0.571
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]	55.000	55.000	3.210
High resolution limit [Å]	3.100	6.680	3.100
Rmerge	0.162	0.053	2.045
Rmeas	0.170	0.055	2.191
Rpim	0.051	0.017	0.762
Total number of observations	1026574
Number of reflections	98175	10208	8435
<I/σ(I)>	5.6
Completeness [%]	97.7	100	83.8
Redundancy	10.5	10.7	7.1
CC(1/2)		0.999	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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