8G9A

Crystal structure of a resurrected ancestor (AncRNase) of the pancreatic-type RNases 2 and 3 sub-families

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.18067
Spacegroup name	I 2 3
Unit cell lengths	170.290, 170.290, 170.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 2.030
R-factor	0.1915
Rwork	0.191
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.455
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.520	45.520	2.100
High resolution limit [Å]	2.030	4.510	2.030
Rmerge	0.089	0.037	1.874
Rmeas	0.090	0.037	1.900
Rpim	0.014	0.006	0.314
Number of reflections	52818	4971	4808
<I/σ(I)>	32.9	100.8	2.8
Completeness [%]	99.8	100	100
Redundancy	38.9	35.3	36.4
CC(1/2)	1.000	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	1.2 M Lithium sulfate, 0.1 M Sodium acetate:HCL pH 5.5 (cryoprotectant: 20% MPD)