1P7H

Structure of NFAT1 bound as a dimer to the HIV-1 LTR kB element

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Wavelength(s)	0.900
Spacegroup name	P 1
Unit cell lengths	74.107, 80.321, 80.308
Unit cell angles	71.20, 78.97, 78.94

Refinement procedure

Resolution	30.000 * - 2.600
R-factor	0.231
Rwork	0.231
R-free	0.25400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.380 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.060 *
Number of reflections	51229
Completeness [%]	93.9 *	58.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
10	1	reservoir	spermine	2 (mM)
11	1	reservoir	dithiothreitol	2 (mM)
12	1	reservoir	glycerol	10 (%(v/v))
2	1	drop	spermine	2 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop		100 (mM)
5	1	drop	glycerol	8 (%(v/v))
6	1	drop		350 (mM)
7	1	reservoir	Tris-HCl	50 (mM)	pH8.1
8	1	reservoir		100 (mM)
9	1	reservoir	PEG3000	14 (%(w/v))