6GNM

Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-03
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	71.526, 75.845, 107.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.560 - 2.240
R-factor	0.183
Rwork	0.179
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sn2
RMSD bond length	0.004
RMSD bond angle	0.600
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]	59.560	2.330
High resolution limit [Å]	2.240	2.240
Rmerge	0.124	0.611
Number of reflections	27586
<I/σ(I)>	6.8	1.3
Completeness [%]	95.5	81.6
Redundancy	3.9	1.9

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. BP2 was added at 5 x molar excess to the protein. The reservoir contained 0.01M ZnSO4 hepahyrate, 0.1M MES pH 6.5, 25% PEG-MME 550. Drop size 3 plus 3 microliter