4HIS

The Structure of V122I Mutant Transthyretin in Complex with Tafamidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Detector technology	PIXEL
Collection date	2012-06-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 21 21 2
Unit cell lengths	42.673, 84.601, 64.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.320 - 1.200
R-factor	0.1541
Rwork	0.153
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fbr
RMSD bond length	0.017
RMSD bond angle	1.746
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	64.320
High resolution limit [Å]	1.200
Number of reflections	73110
<I/σ(I)>	26
Completeness [%]	99.6
Redundancy	6.2

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 WITH INHIBITORS 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 298K