6CCE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91806
Spacegroup name	P 1 21 1
Unit cell lengths	130.564, 161.583, 135.141
Unit cell angles	90.00, 110.73, 90.00

Refinement procedure

Resolution	49.549 - 3.050
R-factor	0.235
Rwork	0.234
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tw1
RMSD bond length	0.002
RMSD bond angle	0.485
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.160
High resolution limit [Å]	3.050	3.050
Rmerge	0.143	2.227
Rmeas	0.157	2.462
Rpim	0.064	1.032
Number of reflections	99721
<I/σ(I)>	8.42
Completeness [%]	99.8
Redundancy	5.7
CC(1/2)	0.998	0.310

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