8IK4

Structure of DNA binding domain of McrBC endonuclease bound to hemimethylated DNA: L68F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	36.099, 70.279, 144.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.320 - 2.100
R-factor	0.1989
Rwork	0.196
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sse
RMSD bond length	0.002
RMSD bond angle	0.482
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.280	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.117	0.678
Number of reflections	21681	1702
<I/σ(I)>	7.7	2
Completeness [%]	97.9	96.9
Redundancy	4.4	4.2
CC(1/2)	0.993	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291.15	0.1-0.2 M Bis-Tris pH 5.5 and 12-24% PEG 4000