7EH1

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

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	C 1 2 1
Unit cell lengths	184.124, 103.319, 295.646
Unit cell angles	90.00, 98.96, 90.00

Refinement procedure

Resolution	25.265 - 2.900
R-factor	0.1924
Rwork	0.191
R-free	0.25270
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	2.950
High resolution limit [Å]	2.898	7.860	2.900
Rmerge	0.071	0.030	0.425
Rmeas	0.082	0.035	0.513
Rpim	0.041	0.018	0.282
Number of reflections	116173	6091	5191
<I/σ(I)>	8.3
Completeness [%]	96.6	98	86.7
Redundancy	3.5	3.8	2.7
CC(1/2)		0.997	0.895

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