6GNO

Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-18
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	59.422, 59.422, 115.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.895 - 1.650
R-factor	0.183
Rwork	0.180
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sn2
RMSD bond length	0.009
RMSD bond angle	1.025
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.900	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.072	0.426
Number of reflections	28420	2599
<I/σ(I)>	29.7	2.4
Completeness [%]	97.2	91
Redundancy	10.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Purified SaTTR in 100 mM NaCl and 20 mM Tris-HCl, pH 7.5, was concentrated to 5 mg per ml. TBBPA was added at 5 x molar excess to the protein. The reservoir contained 1.9 M AmSO4. Drop size 3 plus 3 microliter