1OO2

Crystal structure of transthyretin from Sparus aurata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-08
Detector	MARRESEARCH
Wavelength(s)	1.2
Spacegroup name	C 1 2 1
Unit cell lengths	96.452, 65.622, 70.834
Unit cell angles	90.00, 97.40, 90.00

Refinement procedure

Resolution	48.000 * - 1.560
R-factor	0.1973
Rwork	0.197
R-free	0.22300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.019
RMSD bond angle	0.020
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000 *	1.640
High resolution limit [Å]	1.560 *	1.560
Rmerge	0.055	0.146 *
Total number of observations	239286 *
Number of reflections	60660
<I/σ(I)>	7	7
Completeness [%]	97.2	89.9
Redundancy	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	PEG 400, cadmio chloride, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		50 (mM)
2	1	reservoir	sodium acetate	50 (mM)
3	1	reservoir	PEG400	15 (%(w/v))	pH4.6