8VN3

Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 600s

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 - 1.630
R-factor	0.1801
Rwork	0.179
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.156
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	1.720
High resolution limit [Å]	1.630	4.860	1.630
Rmerge	0.075	0.029	0.700
Rmeas	0.083	0.032	0.781
Number of reflections	160541	6054	25785
<I/σ(I)>	14.05
Completeness [%]	99.9
Redundancy	10
CC(1/2)	0.999	0.999	0.763

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