8VNN

Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mn2+ for 480s

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	2023-03-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9765
Spacegroup name	P 31 2 1
Unit cell lengths	114.060, 114.060, 88.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.070 - 1.790
R-factor	0.1774
Rwork	0.177
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.219
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]	43.070	43.070	1.900
High resolution limit [Å]	1.790	5.350	1.790
Rmerge	0.111	0.058	0.998
Rmeas	0.123	0.064	1.102
Number of reflections	122888	4643	19558
<I/σ(I)>	9.58
Completeness [%]	99.7
Redundancy	11.1
CC(1/2)	0.997	0.996	0.734

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