8T5X

Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)

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	CCD
Collection date	2019-09-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9765
Spacegroup name	P 21 21 2
Unit cell lengths	43.780, 86.030, 64.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.020 - 1.630
R-factor	0.1904
Rwork	0.188
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.121
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.020	1.680
High resolution limit [Å]	1.630	1.630
Rmerge		1.770
Rmeas	0.115	1.910
Rpim	0.040	0.705
Number of reflections	30727	1544
<I/σ(I)>	22.2	1.1
Completeness [%]	98.8	95.5
Redundancy	7.9	6.9
CC(1/2)	0.871	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	In drop 1:1 mixture of sample buffer and crystal condition Buffer :10mg/ml protein, 10 mM phosphate potassium, 100 mM KCl at pH 7.0 Crystal Condition: 0.1 M sodium cacodylate (pH 6.5), 0.2 M calcium acetate and 40 % (w/v) PEG 300 at 277 K