8VMW

Homing endonuclease I-PpoI-DNA complex:ground state at pH6.0 (K+ MES) with Na+

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	2023-05-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97648
Spacegroup name	P 31 2 1
Unit cell lengths	113.880, 113.880, 88.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.310 - 1.600
R-factor	0.1847
Rwork	0.184
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.111
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]	49.310	49.310	1.690
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.063	0.028	0.707
Rmeas	0.070	0.031	0.793
Number of reflections	168718	6322	27255
<I/σ(I)>	15.46
Completeness [%]	99.7
Redundancy	9.9
CC(1/2)	0.999	0.999	0.764

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