6E74

Structure of Human Transthyretin Leu55Pro Mutant in Complex with Tafamidis

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	2016-07-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	42.890, 84.620, 65.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.600
R-factor	0.192
Rwork	0.190
R-free	0.20900
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800	19.800	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge		0.024	1.242
Rmeas		0.027	1.365
Number of reflections	31902	391	2300
<I/σ(I)>	16.34	45.74	1.73
Completeness [%]	99.6	93.8	99.1
Redundancy	5.71	5.379	5.758
CC(1/2)		1.000	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.05 M calcium chloride dihydrate, 0.1 M Bis-Tris, 30% PEG monomethyl ether 550