8VNT

Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 1800s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.1271
Spacegroup name	P 31 2 1
Unit cell lengths	114.129, 114.129, 88.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.020 - 1.620
R-factor	0.1779
Rwork	0.177
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.060
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]	33.020	33.020	1.710
High resolution limit [Å]	1.620	4.830	1.620
Rmerge	0.096	0.042	1.005
Rmeas	0.101	0.044	1.057
Number of reflections	165081	6213	26218
<I/σ(I)>	16.69
Completeness [%]	99.6
Redundancy	20.2
CC(1/2)	0.999	0.999	0.825

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