6E73

Structure of Human Transthyretin Val30Met Mutant 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	43.080, 84.800, 64.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.240 - 1.797
R-factor	0.1902
Rwork	0.187
R-free	0.21980
RMSD bond length	0.006
RMSD bond angle	0.846
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]	64.240	64.240	1.840
High resolution limit [Å]	1.800	8.040	1.800
Rmerge	0.041	0.031	0.494
Rmeas	0.045	0.034	0.542
Total number of observations	144471
Number of reflections	22422	301	1522
<I/σ(I)>	21.24	42.64	2.93
Completeness [%]	99.2	99.3	93.8
Redundancy	6.443	5.947	5.76
CC(1/2)	0.999	0.999	0.954

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% (W/V) PEG-1000, 0.1M Imidazole, 0.2M Calcium Acetate