6JCY

Mycobacterium tuberculosis RNA polymerase transcription initiation open complex with a chimeric ECF sigma factor sigH/E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97916
Spacegroup name	P 1 21 1
Unit cell lengths	128.943, 163.005, 129.315
Unit cell angles	90.00, 117.81, 90.00

Refinement procedure

Resolution	48.766 - 3.106
R-factor	0.1959
Rwork	0.195
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zx3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.090	0.039	0.871
Rmeas	0.102	0.045	0.990
Rpim	0.047	0.020	0.458
Number of reflections	78903	4028	2980
<I/σ(I)>	12.3		1.59
Completeness [%]	93.3	93	70.9
Redundancy	4.2	4.1	4
CC(1/2)	0.995	0.996	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M sodium acetate, 0.1M sodium citrate pH 5.5, 10% PEG4000