1PZU

An asymmetric NFAT1-RHR homodimer on a pseudo-palindromic, Kappa-B site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9480
Spacegroup name	P 21 21 21
Unit cell lengths	81.700, 122.900, 241.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 3.100
R-factor	0.303
Rwork	0.296
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	3.290
High resolution limit [Å]	3.100	3.100
Rmerge	0.095 *	0.308 *
Total number of observations	124267 *
Number of reflections	37145 *	4269 *
Completeness [%]	82.4 *	77 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.3 *	292	HEPES, NaCl, glycerol, NH4OAc, MgCl2, spermine, PEG4000, Tris-HCl, pH 8.0, microbatch, temperature 292.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES
10	1	2	PEG4000
11	1	2	spermine
12	1	2	NH4OAc
13	1	2	MgCl2
14	1	2	glycerol
15	1	2	H2O
2	1	1	NaCl
3	1	1	glycerol
4	1	1	NH4OAc
5	1	1	MgCl2
6	1	1	spermine
7	1	1	PEG4000
8	1	1	Tris-HCl
9	1	1	H2O

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		100 (mM)
2	1	reservoir		10 (mM)
3	1	reservoir	spermine	2.5 (mM)
4	1	reservoir	glycerol	6 (%(v/v))
5	1	reservoir	PEG4000	6 (%(w/v))
6	1	reservoir	Bis-Tris propane	50 (mM)	pH6.3