2GAB

Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-07-14
Detector	MAC Science DIP-2030
Spacegroup name	P 21 21 2
Unit cell lengths	43.459, 86.197, 65.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.510 - 1.850
R-factor	0.21147
Rwork	0.210
R-free	0.23769
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmz
RMSD bond length	0.016
RMSD bond angle	2.272
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.510	1.860
High resolution limit [Å]	1.850	1.800
Rmerge	0.030
Number of reflections	19133
Completeness [%]	89.2	92.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	CRYSTALLIZATION CONDITIONS: CRYSTALS OF RECOMBINANT WT TTR WERE OBTAINED FROM PROTEIN SOLUTIONS AT 5 MG/ML (IN 100 MM KCL, 100 MM PHOSPHATE [PH 7.4], 1 M AMMONIUM SULFATE) EQUILIBRATED AGAINST 2 M AMMONIUM SULFATE IN HANGING DROP EXPERIMENTS. THE TTR LIGAND COMPLEXES WERE PREPARED FROM CRYSTALS SOAKED FOR 2 WEEKS WITH A 10-FOLD MOLAR EXCESS , PH 7.00, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K , VAPOR DIFFUSION, HANGING DROP