8VNP

Homing endonuclease I-PpoI-DNA complex at pH6.0 (K+ MES) with 0.2 M sodium malonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-07-31
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.1272
Spacegroup name	P 31 2 1
Unit cell lengths	113.695, 113.695, 87.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.280 - 1.790
R-factor	0.172
Rwork	0.171
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.956
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]	34.280	34.280	1.890
High resolution limit [Å]	1.790	5.330	1.790
Rmerge	0.048	0.033	0.151
Rmeas	0.051	0.035	0.159
Number of reflections	120708	4544	19436
<I/σ(I)>	33.42
Completeness [%]	99.8
Redundancy	20.5
CC(1/2)	1.000	0.999	0.992

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