8VMS

Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 80s

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 - 1.420
R-factor	0.1795
Rwork	0.179
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.062
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	1.500
High resolution limit [Å]	1.420	4.240	1.420
Rmerge	0.091	0.056	0.720
Rmeas	0.100	0.062	0.800
Number of reflections	239977	9027	37611
<I/σ(I)>	9.23
Completeness [%]	99.4
Redundancy	10.8
CC(1/2)	0.997	0.997	0.735

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