8DH1

T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair

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
Spacegroup name	P 1
Unit cell lengths	78.866, 86.156, 201.676
Unit cell angles	89.85, 85.09, 69.56

Refinement procedure

Resolution	39.340 - 2.650
R-factor	0.2318
Rwork	0.230
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dh0
RMSD bond length	0.004
RMSD bond angle	0.697
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.19)
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.340	2.690
High resolution limit [Å]	2.650	2.650
Rmerge	0.121	2.619
Rmeas	0.140	3.036
Rpim	0.071	1.533
Total number of observations	509307	25182
Number of reflections	130161	6486
<I/σ(I)>	8.1	0.7
Completeness [%]	90.3
Redundancy	3.9	3.9
CC(1/2)	0.994	0.315

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