7KCN

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 PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 41 2 2
Unit cell lengths	67.030, 67.030, 116.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.100 - 1.460
R-factor	0.1623
Rwork	0.161
R-free	0.18170
Structure solution method	SIRAS
RMSD bond length	0.015
RMSD bond angle	1.524
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]	44.050	1.550
High resolution limit [Å]	1.460	1.460
Rmeas	0.063	0.353
Number of reflections	45814	11794
<I/σ(I)>	24.7	3.8
Completeness [%]	97.1	82.8
Redundancy	11.5	5.3
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	20-24% (w/v) PEG 1,500, 20-30% (v/v) glycerol