7Z60

Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	43.230, 85.600, 64.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.800 - 1.400
R-factor	0.1841
Rwork	0.182
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pmf
RMSD bond length	0.013
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	45603	90256
<I/σ(I)>	18.1
Completeness [%]	99.7
Redundancy	6.8
CC(1/2)	0.990	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein: 5 mg/ml TTR dialysed against 0.1 M NaCl, 0.05M Na acetate, pH 5.5. Precipitant:80% (30% PEG 4000, 0.2 M Imidazole Malate pH 6.0), 15% ((12% MPEG 5000, 0.1 Sodium Acetate pH 5.5)