1O3Q

PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES

Replaces:  1DB7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	108
Detector technology	IMAGE PLATE
Collection date	1997-09-01
Detector	RIGAKU RAXIS
Spacegroup name	P 31 2 1
Unit cell lengths	77.150, 77.150, 143.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.2521
Rwork	0.252
R-free	0.31500 *
RMSD bond length	0.011
RMSD bond angle	1.560 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.079	0.422
Total number of observations	108474 *
Number of reflections	10299 *
<I/σ(I)>	6.9
Completeness [%]	96.7	99.3
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.2 *	20 *	PEG 8000, 1,4-DIOXANE, MES, NACL, MGCL2, CAMP, pH 6.23, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	1,4-DIOXANE	2	3
2	1	1	MES	5	6
3	1	1	NACL	8	9
4	1	1	MGCL2	11	12
5	1	1	CAMP	14	15
6	1	1	PEG 8000	17	18
7	1	2	PEG 8000	20	21

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	protein	0.12-0.24 (mM)
3	1	drop	cAMP	2 (mM)
4	1	drop	MES	100 (mM)	pH6.2
5	1	drop		200 (mM)
6	1	drop		50 (mM)
7	1	drop	PEG8000	5-6 (%(w/v))
8	1	drop	dioxane	18-19 (%(v/v))