7KJJ

Reconstructed ancestor of HIUases and Transthyretins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.459
Spacegroup name	P 43 21 2
Unit cell lengths	92.430, 92.430, 87.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.890 - 1.550
R-factor	0.1727
Rwork	0.172
R-free	0.18460
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.340	1.590
High resolution limit [Å]	1.550	1.550
Rmeas	0.037	0.703
Number of reflections	55503	7752
<I/σ(I)>	26.3	2.9
Completeness [%]	99.9	99.2
Redundancy	6.3	5.1
CC(1/2)	0.990	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	Condition 1: 2 M lithium sulfate, 5% (v/v) 2-propanol, 0.1 M magnesium sulfate, 0.2 M sodium acetate pH 4.5 Condition 2: 30% (w/v) PEG 1500, 20% (w/v) PEG 400, 0.1 M Hepes pH 7.5