6KOQ

Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 10 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	2018-06-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	126.846, 161.097, 129.551
Unit cell angles	90.00, 117.44, 90.00

Refinement procedure

Resolution	36.512 - 3.353
R-factor	0.2224
Rwork	0.221
R-free	0.26010
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	3.410
High resolution limit [Å]	3.350	9.080	3.350
Rmerge	0.144	0.037	0.979
Rmeas	0.159	0.040	1.114
Rpim	0.067	0.017	0.518
Total number of observations	348311
Number of reflections	64492	3347	2811
<I/σ(I)>	4.6
Completeness [%]	97.7	98.9	85
Redundancy	5.4	5.3	4.2
CC(1/2)		0.998	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.08 M magnesium acetate, 0.05 M sodium cacodylated pH 6.5, 15% PEG 400