8DH0

T7 RNA polymerase elongation complex with unnatural base dDs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	78.707, 86.235, 201.220
Unit cell angles	89.91, 85.23, 69.50

Refinement procedure

Resolution	42.030 - 2.900
R-factor	0.2213
Rwork	0.221
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h38
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHENIX (1.19)
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.030	39.640	2.700
High resolution limit [Å]	2.660	14.570	2.660
Rmerge	0.099	0.035	5.785
Rmeas	0.115	0.041	6.716
Rpim	0.058	0.021	3.403
Total number of observations		3232	24203
Number of reflections	131648	851	6456
<I/σ(I)>	6.9	25.6	0.3
Completeness [%]	89.7	94.8	88.9
Redundancy	3.9	3.8	3.7
CC(1/2)	0.997	0.996	0.234

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	298	10% PEG 8000, 8% glycerol, 5 mM B-mercaptoethanol, 100 mM Tris pH 8.1