6KON

Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 5 nt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97776
Spacegroup name	P 1 21 1
Unit cell lengths	129.330, 161.219, 129.469
Unit cell angles	90.00, 117.78, 90.00

Refinement procedure

Resolution	48.651 - 3.000
R-factor	0.2212
Rwork	0.220
R-free	0.27050
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	3.050
High resolution limit [Å]	2.998	8.130	3.000
Rmerge	0.105	0.040	1.072
Rmeas	0.120	0.045	1.244
Rpim	0.057	0.021	0.617
Number of reflections	91565	4699	4076
<I/σ(I)>	6.4
Completeness [%]	97.8	97.9	88
Redundancy	4.2	4.2	3.6
CC(1/2)		0.997	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.08 M Magnesium acetate, 0.05 M sodium cacodylate pH 6.5, 10% PEG 400