8VMV

Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 600s

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)	0.9787
Spacegroup name	P 31 2 1
Unit cell lengths	113.580, 113.580, 87.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.930 - 1.590
R-factor	0.1799
Rwork	0.179
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.550
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]	42.930	42.930	1.680
High resolution limit [Å]	1.590	4.730	1.590
Rmerge	0.102	0.056	0.749
Rmeas	0.113	0.061	0.829
Number of reflections	175532	6622	27788
<I/σ(I)>	8.68
Completeness [%]	99.6
Redundancy	11
CC(1/2)	0.996	0.997	0.749

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