8VNQ

Homing endonuclease H98A I-PpoI-DNA complex at pH6.0 (K+ MES) with 1 mM Mn2+ for 1800s

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	114.646, 114.646, 89.057
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.200 - 1.930
R-factor	0.1941
Rwork	0.193
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.132
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]	48.200	48.200	2.050
High resolution limit [Å]	1.930	5.750	1.930
Rmerge	0.198	0.103	0.709
Rmeas	0.221	0.113	0.790
Number of reflections	97783	3722	15294
<I/σ(I)>	4.8
Completeness [%]	99.3
Redundancy	9.8
CC(1/2)	0.981	0.992	0.757

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