8VMO

Homing endonuclease I-PpoI-DNA complex:ground state at pH7.0 (K+ MES) with Na+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-03-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	114.083, 114.083, 88.123
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.400 - 1.680
R-factor	0.1703
Rwork	0.169
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.680	5.010	1.680
Rmerge	0.088	0.044	0.845
Rmeas	0.097	0.048	0.933
Number of reflections	146560	5522	23406
<I/σ(I)>	11.15
Completeness [%]	99.8
Redundancy	11
CC(1/2)	0.998	0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.2 M Sodium Malonate, PEG 3350, 0.1 M MES