3S2D

RNA Polymerase II Initiation Complex with a 5-nt RNA containing a 5Br-U

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	158.286, 220.768, 192.241
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	47.760 - 3.200
R-factor	0.185
Rwork	0.183
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nvq
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.153	0.057	0.592
Number of reflections	107380
<I/σ(I)>	5.7
Completeness [%]	98.8	100	91.5
Redundancy	7	7.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	390mM (NH4)2HPO4/NaH2PO4, pH 6.0, 50mM dioxane, 9-11% PEG 6,000, 15mM DTT, vapor diffusion, temperature 293K