8VNS

Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 200 mM Mn2+ for 600s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9765
Spacegroup name	P 31 2 1
Unit cell lengths	117.905, 117.905, 84.743
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.390 - 2.110
R-factor	0.2238
Rwork	0.222
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.144
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]	48.390	48.390	2.240
High resolution limit [Å]	2.110	6.280	2.110
Rmerge	0.120	0.055	0.549
Rmeas	0.135	0.061	0.613
Number of reflections	75423	2839	11982
<I/σ(I)>	7.91
Completeness [%]	99.5
Redundancy	9.7
CC(1/2)	0.994	0.998	0.842

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