8VN4

Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 1200s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9765
Spacegroup name	P 31 2 1
Unit cell lengths	113.880, 113.880, 88.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.840 - 1.750
R-factor	0.1838
Rwork	0.183
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.130
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]	47.840	47.840	1.860
High resolution limit [Å]	1.750	5.220	1.750
Rmerge	0.092	0.045	0.753
Rmeas	0.103	0.050	0.842
Number of reflections	130045	4919	20460
<I/σ(I)>	9.32
Completeness [%]	99.4
Redundancy	9.7
CC(1/2)	0.997	0.998	0.753

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