8VNC

Homing endonuclease I-PpoI-DNA complex:reaction at pH8.0 (Tris) with 500 uM Mg2+ for 320s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-04-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9787
Spacegroup name	P 31 2 1
Unit cell lengths	113.650, 113.650, 88.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.790 - 1.620
R-factor	0.1801
Rwork	0.180
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.159
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]	47.790	47.790	1.720
High resolution limit [Å]	1.620	4.850	1.620
Rmerge	0.081	0.038	0.811
Rmeas	0.089	0.042	0.896
Number of reflections	162716	6139	25870
<I/σ(I)>	11.74
Completeness [%]	99.7
Redundancy	11
CC(1/2)	0.998	0.998	0.743

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