5FO2

Structure of human transthyretin mutant A108I

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	2015-02-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	85.255, 43.586, 64.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.919 - 1.449
R-factor	0.1852
Rwork	0.184
R-free	0.21510
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.018
RMSD bond angle	1.754
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.200	1.450
High resolution limit [Å]	1.450	1.440
Rmerge	0.060	0.670
Number of reflections	42899
<I/σ(I)>	14.6	2.2
Completeness [%]	97.3	93.6
Redundancy	6.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1M HEPES PH 7.5, 28% PEG400, 0.2M CACL2