9FHA

Human transthyretin (TTR) in complex with (E)-2-((((2-(trifluoromethyl)benzyl)oxy)imino)methyl)benzoic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980128
Spacegroup name	P 21 21 2
Unit cell lengths	43.320, 84.740, 63.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.370 - 1.700
R-factor	0.196
Rwork	0.194
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.370	1.720
High resolution limit [Å]	1.700	1.700
Number of reflections	26632	4137
<I/σ(I)>	17.99
Completeness [%]	99.5	96.8
Redundancy	7
CC(1/2)	0.990	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Protein: 4.93 mg/mL, Tris pH 8.0, 150mM NaCl. Precipitant: 24% PEG 600, 0.2M imidazole malate pH 5.5