4MAS

High Resolution Structure of Wild Type Human Transthyretin in Complex with 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'diol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	200
Detector technology	PIXEL
Collection date	2013-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9797
Spacegroup name	P 21 21 2
Unit cell lengths	43.049, 85.020, 64.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.873 - 1.220
R-factor	0.15168
Rwork	0.151
R-free	0.17339
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fbr
RMSD bond length	0.015
RMSD bond angle	1.649
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.873	1.290
High resolution limit [Å]	1.220	1.220
Number of reflections	70897
<I/σ(I)>	27.6	3.5
Completeness [%]	99.5	98.2
Redundancy	6.3	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	4 mg/ML wt-TTR in 10 mM sodium phosphate, 100 mM potassium chloride, pH 7.6, co-crystallized with inhibitor, crystallization solution: 1.395 M sodium citrate, 3.5% v/v glycerol, pH 5.5, cryoprotectant: 1.395 M sodium citrate, pH 5.5, 10% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K