8PM9

Crystal structure of human wild type transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979260
Spacegroup name	P 21 2 21
Unit cell lengths	43.504, 64.089, 84.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.390 - 1.850
R-factor	0.1944
Rwork	0.193
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.843
Data reduction software	XDS
Data scaling software	Aimless ((0.7.7))
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	20915	8398
<I/σ(I)>	14.8
Completeness [%]	99.9	100
Redundancy	6.3
CC(1/2)	0.999	0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291.15	0.1M HEPES pH8, 0.2M CaCl2, 25% PEG 400