9FF6

Human transthyretin (TTR) in complex with (E)-4-((((2-methoxybenzyl)oxy)imino)methyl)benzoic acid (Lic157)

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	2023-06-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.919491
Spacegroup name	P 21 21 2
Unit cell lengths	42.977, 85.484, 63.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 1.400
R-factor	0.1674
Rwork	0.166
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.028
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]	38.400	1.430
High resolution limit [Å]	1.340	1.400
Rmerge	0.167	0.332
Number of reflections	46946	3220
<I/σ(I)>	1.34
Completeness [%]	99.9
Redundancy	5.06

Crystallization Conditions

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