6U0Q

Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydrobenzo[c][1,2]oxaborol-1-uide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	Bruker PHOTON III
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	43.090, 85.840, 64.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.410 - 1.750
R-factor	0.1807
Rwork	0.178
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u4f
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.410	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.049	0.388
Rmeas	0.058	0.481
Rpim	0.031	0.278
Number of reflections	24767	2431
<I/σ(I)>	17.8	2.5
Completeness [%]	100.0	100
Redundancy	3.4	2.9
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.3 M sodium citrate, 2% v/v glycerol