8RPX

NhoI restriction endonuclease in complex with quadruply methylated DNA target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	114.635, 167.059, 56.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 1.810
R-factor	0.2065
Rwork	0.205
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.810	1.875
High resolution limit [Å]	1.810	1.810
Rmerge	0.071	1.125
Rmeas	0.075	1.170
Rpim	0.021	0.317
Number of reflections	99666	9866
<I/σ(I)>	18.05	2.03
Completeness [%]	99.8	99.73
Redundancy	13.2	13.3
CC(1/2)	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris-BICINE, pH 8.5, 20 % v/v ethylene glycol, 10 % w/v PEG 8000, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM 1,2-propanediol, 20 mM 2-propanol, 20 mM 1,4-butanediol, 20 mM 1,3-propanediol