5CR1

Crystal structure of TTR/resveratrol/T4 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	42.536, 85.633, 63.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.816 - 1.545
R-factor	0.1677
Rwork	0.166
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f41
RMSD bond length	0.010
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.820	1.630
High resolution limit [Å]	1.540	1.540
Rmerge	0.041	0.298
Number of reflections	43821
<I/σ(I)>	21.3	4.9
Completeness [%]	99.5	97.3
Redundancy	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	The protein (5 mg/ml), in 20 mM sodium phosphate, pH 7 was incubated with a reservoir solution containing 2.2 M ammonium sulphate, 0.1 M KCl, 0.03 M sodium phosphate, pH 7.0.