7ERH

Crystal structure of WT-TTR in complex with bithionol

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	2021-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	42.342, 85.371, 64.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.083 - 1.550
R-factor	0.1947
Rwork	0.194
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.930	1.600
High resolution limit [Å]	1.550	1.550
Rmeas	0.096	1.111
Rpim	0.032	0.356
Number of reflections	34392	3327
<I/σ(I)>	14.9	2.9
Completeness [%]	99.1	97.6
Redundancy	9.2	9.5
CC(1/2)	0.997	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, CaCl2, Tris-HCl pH 8, bithionol