8IJP

Structure of DNA binding domain of McrBC endonuclease bound to DNA: L68Y 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	2020-01-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	36.069, 68.910, 143.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.150 - 1.550
R-factor	0.1615
Rwork	0.158
R-free	0.19240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sse
RMSD bond length	0.013
RMSD bond angle	1.252
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]	68.910	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.076	0.869
Number of reflections	53142	2591
<I/σ(I)>	15.7	2.8
Completeness [%]	99.9	99.6
Redundancy	12.1	12.3
CC(1/2)	0.999	0.916

Crystallization Conditions

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