8IK8

Structure of DNA binding domain of McrBC endonuclease bound to 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	C 1 2 1
Unit cell lengths	74.662, 36.123, 142.805
Unit cell angles	90.00, 98.63, 90.00

Refinement procedure

Resolution	47.060 - 1.800
R-factor	0.1863
Rwork	0.184
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sse
RMSD bond length	0.015
RMSD bond angle	1.341
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.060	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.086	0.770
Number of reflections	66256	1994
<I/σ(I)>	8	1.3
Completeness [%]	99.4	98.9
Redundancy	3.9	3.4
CC(1/2)	0.995	0.710

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