1A02

STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN BOUND TO 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	IMAGE PLATE
Collection date	1996-09-16
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	64.660, 85.460, 83.370
Unit cell angles	90.00, 112.03, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.246
Rwork	0.246
R-free	0.30300
Structure solution method	MIR/MAD
RMSD bond length	0.010 *
RMSD bond angle	1.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.080 *	0.430 *
Number of reflections	22079
Completeness [%]	98.3	93.3
Redundancy	3.1	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		THE COMPLEX WAS CRYSTALLIZED IN 300-400 MM AMMONIUM ACETATE SALT, PH 7.5 (10 MM)., VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES
10	1	2	AMMINO ACETATE
2	1	1	DTT
3	1	1	NACL
4	1	1	GLYCEROL
5	1	1	AMMINO ACETATE
6	1	2	HEPES
7	1	2	DTT
8	1	2	NACL
9	1	2	GLYCEROL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.2-0.4 (mM)
2	1	reservoir	HEPES	10 (mM)
3	1	reservoir	dithiothreitol	1 (mM)
4	1	reservoir		100 (mM)
5	1	reservoir	glycerol	20 (%)
6	1	reservoir		300 (mM)