7EH0

Thermus thermophilus RNA polymerase transcription initiation complex containing a template-strand purine at position TSS-2, UpA RNA primer and CMPcPP

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	2018-04-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97892
Spacegroup name	C 1 2 1
Unit cell lengths	183.784, 103.433, 295.626
Unit cell angles	90.00, 98.95, 90.00

Refinement procedure

Resolution	48.749 - 2.808
R-factor	0.2037
Rwork	0.203
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
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]	2.800	7.590	2.800
Rmerge	0.113	0.040	1.027
Rmeas	0.130	0.046	1.203
Rpim	0.062	0.022	0.610
Total number of observations	500474
Number of reflections	127190	6800	6086
<I/σ(I)>	6.8
Completeness [%]	95.7	99	91.7
Redundancy	3.9	4	3.3
CC(1/2)		0.997	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.05 M Magnesium chloride, 0.2 M Potassium chloride, 0.1 M Tris-HCl pH 8.0, 10% PEG 4000