3HJ0

Transthyretin in complex with a covalent small molecule kinetic stabilizer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Detector technology	CCD
Collection date	2008-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.003
Spacegroup name	P 21 21 2
Unit cell lengths	42.654, 85.459, 63.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.170 - 1.340
R-factor	0.14881
Rwork	0.147
R-free	0.18161
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.629
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.170	1.390
High resolution limit [Å]	1.340	1.340
Number of reflections	52436
<I/σ(I)>	33	7.9
Completeness [%]	98.1	86.4
Redundancy	7.1	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	The WT-TTR was concentrated to 4 mg/mL in 10 mM NaPi, 100 mM KCl, at pH 7.6 and co-crystallized at room temperature using the vapor diffusion sitting drop method. Crystals were grown from 1.395 M sodium citrate, 3.5% v/v glycerol at pH 5.5. The crystals were frozen using a cryo-protectant solution of 1.395 M sodium citrate, pH 5.5, containing 10% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K