4UNC

THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 8 DAYS INCUBATION IN 5MM MN (STATE 6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	106.803, 70.409, 107.172
Unit cell angles	90.00, 119.77, 90.00

Refinement procedure

Resolution	46.273 - 2.300
R-factor	0.186
Rwork	0.185
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vs8
RMSD bond length	0.009
RMSD bond angle	1.144
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.510	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.050	0.500
Number of reflections	58967
<I/σ(I)>	13.5	2.7
Completeness [%]	95.9	92.2
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		PH 6