1ICT

MONOCLINIC FORM OF HUMAN TRANSTHYRETIN COMPLEXED WITH THYROXINE (T4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	76.690, 96.660, 81.740
Unit cell angles	90.00, 106.84, 90.00

Refinement procedure

Resolution	15.000 - 3.000
R-factor	0.229
Rwork	0.229
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TETRAMER GENERATED FROM PDB ENTRY 2ROX WITH ONLY PROTEIN ATOMS FROM RESIDUES 10-125 INCLUDED
RMSD bond length	0.007
RMSD bond angle	26.400 *
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.500 *	3.100
High resolution limit [Å]	3.000	3.000
Rmerge	0.098	0.231
Total number of observations	23667 *
Number of reflections	14537 *
<I/σ(I)>	10.12	2.6
Completeness [%]	61.4	59 *
Redundancy	1.62	1.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.9	293	55% AMMONIUM SULFATE; 0.1 M PHOSPHATE BUFFER, pH 4.9, HANGMAN HANGING DROP CRYSTALLIZATION METHOD, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	55 (%)
2	1	reservoir	phosphate	0.1 (M)	pH4.9