9FF8

Human transthyretin (TTR) in complex with (E)-2-((((2-chlorobenzyl)oxy)imino)methyl)benzoic acid (Lic166)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980109
Spacegroup name	P 21 21 2
Unit cell lengths	42.981, 85.247, 64.004
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.380 - 1.420
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.380	1.450
High resolution limit [Å]	1.420	1.420
Number of reflections	45148	42871
<I/σ(I)>	2.1
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.990	0.960

Crystallization Conditions

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