7EH2

Thermus thermophilus transcription initiation complex containing a template-strand pyrimidine at position TSS-2 and GpG RNA primer

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	2019-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	184.850, 104.200, 296.650
Unit cell angles	90.00, 98.42, 90.00

Refinement procedure

Resolution	97.817 - 3.340
R-factor	0.2033
Rwork	0.201
R-free	0.24750
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]	123.620	123.620	3.430
High resolution limit [Å]	3.340	14.940	3.340
Rmerge	0.102	0.025	0.677
Rmeas	0.117	0.028	0.776
Rpim	0.057	0.014	0.373
Total number of observations	668766	6614	50124
Number of reflections	162121	1914	11966
<I/σ(I)>	10.4	26.6	2.1
Completeness [%]	99.7	97.6	99.8
Redundancy	4.1	3.5	4.2
CC(1/2)	0.998	0.999	0.813

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, 10% PEG 4000