6KOO

Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 7 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)	0.97890
Spacegroup name	P 1 21 1
Unit cell lengths	125.033, 162.314, 128.482
Unit cell angles	90.00, 117.03, 90.00

Refinement procedure

Resolution	31.377 - 2.800
R-factor	0.2073
Rwork	0.206
R-free	0.24790
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	2.850
High resolution limit [Å]	2.794	7.590	2.800
Rmerge	0.111	0.041	1.020
Rmeas	0.122	0.045	1.135
Rpim	0.049	0.018	0.482
Number of reflections	109729	5668	4652
<I/σ(I)>	5.7
Completeness [%]	97.5	98.6	83.1
Redundancy	5.5	5.4	4.7
CC(1/2)		0.998	0.608

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, 15% PEG 400