3S2H

RNA Polymerase II Initiation Complex with a 6-nt RNA containing a 2[prime]-iodo ATP

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	2010-02-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	165.533, 221.608, 194.056
Unit cell angles	90.00, 99.67, 90.00

Refinement procedure

Resolution	49.810 - 3.300
R-factor	0.1929
Rwork	0.191
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nvq
RMSD bond length	0.009
RMSD bond angle	1.210
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	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.114	0.035	0.847
Number of reflections	100015
<I/σ(I)>	6.9
Completeness [%]	96.5	99.9	77.6
Redundancy	6.8	7.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	390mM (NH4)2HPO4/NaH2PO4, pH 5.9-6.1, 50mM dioxane, 9-11% PEG 6,000, 15mM DTT, vapor diffusion, temperature 293K