6KOP

Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 9 nt

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	2018-04-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97916
Spacegroup name	P 1 21 1
Unit cell lengths	127.371, 162.637, 133.421
Unit cell angles	90.00, 117.95, 90.00

Refinement procedure

Resolution	49.252 - 3.303
R-factor	0.2185
Rwork	0.217
R-free	0.25470
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	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.119	0.042	1.547
Rmeas	0.134	0.048	1.748
Rpim	0.061	0.023	0.797
Total number of observations	299315
Number of reflections	70882	3553	3583
<I/σ(I)>	8.6
Completeness [%]	98.6	96.7	99.2
Redundancy	4.2	3.9	4.2
CC(1/2)		0.997	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.008 M magnesium acetate, 0.05 M sodium cacodylate pH6.5, 14% PEG 400