8DH3

T7 RNA polymerase elongation complex with unnatural base dPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-28
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	79.067, 86.271, 201.967
Unit cell angles	89.70, 86.01, 69.45

Refinement procedure

Resolution	47.980 - 3.000
R-factor	0.2477
Rwork	0.247
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dh0
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	Inner shell	Outer shell
Low resolution limit [Å]	47.980	47.980	2.980
High resolution limit [Å]	2.930	16.050	2.930
Rmerge	0.114	0.026	2.204
Rmeas	0.134	0.030	2.580
Rpim	0.071	0.016	1.330
Total number of observations	371631	2296	19142
Number of reflections	105382	615	5176
<I/σ(I)>	5.9	28.1	0.4
Completeness [%]	98.4	94	98.1
Redundancy	3.5	3.7	3.7
CC(1/2)	0.998	0.999	0.306

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