8HY4

Crystal structure of human transthyretin variant A97S at pH 7.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-11-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	85.370, 41.272, 63.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.990 - 1.530
R-factor	0.2228
Rwork	0.221
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.925
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.056	0.765
Rmeas	0.060	0.840
Rpim	0.023	0.340
Number of reflections	34570	3382
<I/σ(I)>	29.9126984126984	2.0327868852459
Completeness [%]	99.4
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	278	0.1 M HEPES, pH 7.6, 38% PEG 400, and 0.4 M CaCl2