12FK

Ancestral Reconstruction of a Homing Endonuclease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	58.453, 47.371, 74.737
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	42.520 - 2.170
R-factor	0.2363
Rwork	0.231
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.624
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (2.0_5885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.370	2.240
High resolution limit [Å]	2.170	2.170
Rmerge	0.258	1.031
Rmeas	0.280	1.124
Rpim	0.109	0.440
Total number of observations	140336	11340
Number of reflections	21419	1790
<I/σ(I)>	6.2	1.9
Completeness [%]	98.9
Redundancy	6.6	6.3
CC(1/2)	0.985	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 0.2 Ammonium sulfate, 28% PEG 3350 (w/v)