8IKD

Structure of DNA binding domain of McrBC endonuclease bound to DNA: Y41F-L68Y 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	2020-01-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	35.909, 68.410, 144.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.450 - 2.100
R-factor	0.2037
Rwork	0.199
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sse
RMSD bond length	0.002
RMSD bond angle	0.475
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]	61.860	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.120	0.853
Number of reflections	20321	1594
<I/σ(I)>	6.4	1.2
Completeness [%]	94.4	93
Redundancy	4.1	4.3
CC(1/2)	0.980	0.603

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