6E72

Structure of Human Transthyretin Val30Met 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	43.040, 85.240, 63.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.830 - 1.450
R-factor	0.189
Rwork	0.187
R-free	0.20500
RMSD bond length	0.010
RMSD bond angle	1.070
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]	19.830	19.830	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.063	0.050	0.781
Rmeas	0.071	0.056	0.873
Number of reflections	42335	530	3124
<I/σ(I)>	11.84	25.02	1.87
Completeness [%]	99.7	95.2	100
Redundancy	5.039	4.842	5.109
CC(1/2)	0.997	0.996	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.2M Lithium Sulfate Monohydrate, 20% (w/v) PEG 3350