7DT3

Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	42.029, 85.773, 63.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.854 - 1.198
R-factor	0.1666
Rwork	0.166
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n85
RMSD bond length	0.005
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12-2829_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.890	1.240
High resolution limit [Å]	1.198	1.198
Rmeas	0.056	0.668
Rpim	0.022	0.301
Number of reflections	71443	5753
<I/σ(I)>	16.3	2.6
Completeness [%]	97.8
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG400, CaCl2, sodium acetate