4GFX

Crystal structure of the N-terminal domain of TXNIP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	173
Detector technology	CCD
Collection date	2007-07-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	37.431, 56.621, 67.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.780 - 1.600
R-factor	0.17423
Rwork	0.171
R-free	0.22711
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PARTIALLY REFINED STRUCTURE OF MSE-LABELED TXNIP N-TERMINAL DOMAIN
RMSD bond length	0.008
RMSD bond angle	1.129
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	18976
Completeness [%]	97.0	90.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.75 M sodium/potassium phosphate, 0.1 M HEPES sodium, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K