9S91

Crystal structure of human TTR mutant L111M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 VENTURE
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-31
Detector	Bruker PHOTON II
Wavelength(s)	1.541
Spacegroup name	P 21 21 2
Unit cell lengths	42.170, 84.120, 64.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.690 - 1.700
R-factor	0.208
Rwork	0.206
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((2.0rc1_5617: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.810	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.110	0.760
Number of reflections	25807	1887
<I/σ(I)>	13.7	1.1
Completeness [%]	99.9	99.7
Redundancy	15.4
CC(1/2)	0.990	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES, 0.4 M CaCl2, 34% PEG400