1KU2

Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment Containing Regions 1.2 to 3.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	93
Detector technology	CCD
Collection date	2000-09-14
Detector	BRANDEIS - B4
Wavelength(s)	.979
Spacegroup name	P 65
Unit cell lengths	104.186, 104.186, 169.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.23
Rwork	0.230
R-free	0.27100
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.286
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.037	0.147
Total number of observations	97790 *
Number of reflections	23536
<I/σ(I)>	24.9	6.2
Completeness [%]	97.1	96.5
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	22.5 *	MOPS, ammonium sulfate, magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	MOPS	0.1 (M)	pH7.0
3	1	reservoir	ammonium sulfate	2 (M)
4	1	reservoir		20 (mM)