8VNR

Homing endonuclease H98A I-PpoI-DNA complex at pH6.0 (K+ MES) with 1 mM Mn2+ for 600s and then 100 mM imidazole for 15 hrs

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)	0.9765
Spacegroup name	P 31 2 1
Unit cell lengths	114.090, 114.090, 88.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.930 - 1.980
R-factor	0.1892
Rwork	0.188
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.081
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]	47.930	47.930	2.100
High resolution limit [Å]	1.980	5.900	1.980
Rmerge	0.107	0.057	0.782
Rmeas	0.119	0.062	0.877
Number of reflections	89357	3395	14180
<I/σ(I)>	8.05
Completeness [%]	99.5
Redundancy	9.8
CC(1/2)	0.996	0.997	0.758

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