1MSW

Structural basis for the transition from initiation to elongation transcription in T7 RNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	C 2 2 21
Unit cell lengths	142.910, 145.460, 145.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.241
Rwork	0.241
R-free	0.27300 *
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	21.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.082 *
Number of reflections	61181
Completeness [%]	89.2 *	55.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	294	PEG 8000, LiSO4, Mg(OAc)2, Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 294K
1	Vapor diffusion *	7	294	PEG 8000, LiSO4, Mg(OAc)2, Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 294K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 8000
2	1	1	LiSO4
3	1	1	Mg(OAc)2
4	1	1	Tris-HCL
5	1	2	PEG 8000
6	1	2	LiSO4
7	1	2	Mg(OAc)2
8	1	2	Tris-HCL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	50 (mM)	pH7.0
2	1	reservoir		200 (mM)
3	1	reservoir	PEG8000	6 (%)
4	1	reservoir	magnesium acetate	10 (mM)
5	1	reservoir	dithiothreitol	5 (mM)