1LB2

Structure of the E. coli alpha C-terminal domain of RNA polymerase in complex with CAP and DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-06
Detector	BRANDEIS - B4
Spacegroup name	P 62 2 2
Unit cell lengths	175.970, 175.970, 158.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.100
Rwork	0.211
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT AND FOURIER SYNTHESIS
Starting model (for MR)	2cgp
RMSD bond length	0.009
RMSD bond angle	21.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.076	0.516
Total number of observations	332877 *
Number of reflections	23331
<I/σ(I)>	13.7	1.5
Completeness [%]	88.0	38.5
Redundancy	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *	20 *	NaCl, NaAcetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	NaCl
2	1	1	Na(C2H3O2)
3	1	2	NaCl
4	1	2	Na(C2H3O2)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	CAP	0.1-0.2 (mM)
2	1	drop	alpha-CTD	0.2-0.4 (mM)
3	1	drop	DNA	0.1-0.3 (mM)
4	1	drop	cAMP	0.8 (mM)
5	1	drop	reservoir
6	1	reservoir	sodium acetate	50 (mM)	pH4.5
7	1	reservoir		250 (mM)