7KED

RNA polymerase II elongation complex with unnatural base dTPT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	169.890, 223.010, 194.700
Unit cell angles	90.00, 101.60, 90.00

Refinement procedure

Resolution	82.597 - 3.600
R-factor	0.2668
Rwork	0.266
R-free	0.30540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e2j
Data reduction software	MOSFLM
Data scaling software	MOSFLM
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.260	96.260	3.620
High resolution limit [Å]	3.550	18.450	3.550
Rmerge	0.317	0.079	1.503
Rmeas	0.382	0.094	1.819
Rpim	0.210	0.051	1.007
Total number of observations	267013	2257	14436
Number of reflections	82834	635	4583
<I/σ(I)>	2.3	5.2	0.8
Completeness [%]	96.9	98.6	97
Redundancy	3.2	3.6	3.1
CC(1/2)	0.893	0.967	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	390mM (NH4)2HPO4/NaH2PO4, pH 6.5, 5mM dioxane, 5mM DTT, 10-12% PEG6000