8W1N

Structure of transthyretin pathogenic mutation A120S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9765
Spacegroup name	P 21 21 2
Unit cell lengths	43.114, 86.280, 64.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.570 - 1.600
R-factor	0.2459
Rwork	0.244
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.829
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.21)
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.600	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.094	2.230
Rmeas	0.102	2.400
Rpim	0.037	0.855
Number of reflections	31452	1493
<I/σ(I)>	20.7	1
Completeness [%]	97.7	96.1
Redundancy	7.6
CC(1/2)	0.835	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M MES at pH 6.0, 10% (v/v) glycerol, 5% (w/v) PEG 1000, and 30% (v/v) PEG 600