8IJO

Structure of DNA binding domain of McrBC endonuclease bound to DNA: Y41F-L68F double 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	2019-10-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	36.149, 68.899, 143.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.670 - 1.650
R-factor	0.1605
Rwork	0.157
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sse
RMSD bond length	0.012
RMSD bond angle	1.166
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.660	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.085	0.736
Number of reflections	44144	2123
<I/σ(I)>	12.4	1.8
Completeness [%]	100.0	100
Redundancy	9.1	8.5
CC(1/2)	0.998	0.824

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