6CCV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979920
Spacegroup name	P 1 21 1
Unit cell lengths	132.353, 162.325, 139.401
Unit cell angles	90.00, 107.37, 90.00

Refinement procedure

Resolution	57.119 - 3.050
R-factor	0.2239
Rwork	0.223
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
RMSD bond length	0.002
RMSD bond angle	0.507
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	3.160
High resolution limit [Å]	3.050	3.050
Rmerge	0.152	2.285
Rpim	0.059	1.026
Number of reflections	106159	55184
<I/σ(I)>	13.86
Completeness [%]	98.0
Redundancy	7.4
CC(1/2)	0.997	0.503

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 LiSO4, 16% (w/v) polyetheylene glycol 3350, 2.5% (v/v) ethylene glycol