12HH

Ancestral Reconstruction of a Homing Endonuclease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	53.891, 54.040, 164.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.190 - 2.370
R-factor	0.2355
Rwork	0.231
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.594
Data reduction software	XDS
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (2.0_5885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.190	2.460
High resolution limit [Å]	2.370	2.370
Rmerge	0.089	0.674
Rmeas	0.093	0.717
Rpim	0.026	0.232
Total number of observations	226427	10686
Number of reflections	18776	1268
<I/σ(I)>	19.1	2.4
Completeness [%]	92.7
Redundancy	12.1	8.4
CC(1/2)	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM HEPES pH7.5, 150 mM NaCl, 28% PEG 3350 (w/v)