6E70

Structure of Wild Type Human Transthyretin in Complex with Diflunisal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	42.090, 84.320, 65.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.050 - 1.992
R-factor	0.19
Rwork	0.185
R-free	0.22940
RMSD bond length	0.006
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.050	65.050	2.040
High resolution limit [Å]	1.990	8.910	1.990
Rmerge	0.069	0.060	0.688
Rmeas	0.076	0.067	0.754
Total number of observations	102436
Number of reflections	16279	228	1060
<I/σ(I)>	13.46	27.65	2.49
Completeness [%]	99.1	100	88.5
Redundancy	6.293	5.43	5.795
CC(1/2)	0.998	0.997	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% (W/V) PEG-1000, 0.1M Imidazole, 0.2M Calcium Acetate