6GNP

Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	71.171, 75.929, 107.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.700 - 2.019
R-factor	0.1766
Rwork	0.174
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sn2
RMSD bond length	0.012
RMSD bond angle	1.118
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.176	1.053
Number of reflections	38625	2704
<I/σ(I)>	9.5	1.8
Completeness [%]	99.6	95.8
Redundancy	6.6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Purified SaTTR in 100 mM NaCl and 20 mM Tris-HCl, pH 7.5, was concentrated to 5 mg per ml. TC2P was added at 5 x molar excess to the protein. The reservoir contained 30% PEG 8K, 0.1M NaCacodylate pH 6.5, 0.2M AmSO4. Drop size 3 plus 3 microliter