8W8N

Thermus thermophilus initiation transcription complex in the pre-translocated state

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	2017-11-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	184.422, 103.704, 295.444
Unit cell angles	90.00, 98.67, 90.00

Refinement procedure

Resolution	48.863 - 2.693
R-factor	0.2133
Rwork	0.212
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.568
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.693	7.320	2.700
Rmerge	0.128	0.064	0.895
Rmeas		0.074	1.075
Rpim		0.036	0.587
Number of reflections	147743	7810	5285
<I/σ(I)>	10.818
Completeness [%]	97.2	99.4	70.3
Redundancy	3.9	4.1	2.5
CC(1/2)		0.985	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M KCl, 0.05M MgCl2, 0.1M Tris-HCl pH7.8, 9.5% PEG 4000