6KGB

Crystal structure of E61K mutated transthyretin

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	2018-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	42.538, 85.597, 64.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.799 - 1.300
R-factor	0.1617
Rwork	0.161
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.004
RMSD bond angle	0.716
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]	42.822	1.350
High resolution limit [Å]	1.300	1.300
Rmeas	0.029	0.849
Rpim	0.011	0.328
Number of reflections	58603	37155
<I/σ(I)>	29.5	2.5
Completeness [%]	99.9	99.4
Redundancy	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	27% PEG400, 0.2 M CaCl2, 0.1 M MES-NaOH pH 6.5