5TZL

Structure of transthyretin in complex with the kinetic stabilizer 201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.99184
Spacegroup name	P 21 21 2
Unit cell lengths	43.265, 85.467, 64.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.100 - 1.400
R-factor	0.13429
Rwork	0.133
R-free	0.16721
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fbr
RMSD bond length	0.019
RMSD bond angle	1.891
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge		0.555
Number of reflections	47590
<I/σ(I)>	28.7	2.4
Completeness [%]	99.7	100
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	WT-TTR at 4 mg/mL and five-fold molar excess compound 201 crystallized from solution containing 1.395 M sodium citrate, 3.5% v/v glycerol at pH 5.5. Crystals cryoprotected by addition of 10% (v/v) glycerol.