6E77

Structure of Human Transthyretin Asp38Ala 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	42.460, 85.070, 64.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.620 - 1.600
R-factor	0.185
Rwork	0.183
R-free	0.20200
RMSD bond length	0.010
RMSD bond angle	1.060
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]	19.620	19.620	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.062	0.043	0.488
Rmeas	0.069	0.049	0.538
Number of reflections	31384	386	2300
<I/σ(I)>	14.28	28.6	3.33
Completeness [%]	99.3	93.2	98.4
Redundancy	5.426	5.236	5.539
CC(1/2)	0.998	0.998	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	2.0M Ammonium sulfate, 0.1M Sodium citrate, 0.2M Potassium sodium tartrate tetrahydrate