4D6O

THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 1H INCUBATION IN 5MM MG (STATE 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 2M-F
Spacegroup name	P 1 21 1
Unit cell lengths	106.888, 70.672, 107.143
Unit cell angles	90.00, 119.80, 90.00

Refinement procedure

Resolution	46.489 - 2.200
R-factor	0.1866
Rwork	0.186
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB DENTRY 2VS7
RMSD bond length	0.009
RMSD bond angle	1.159
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]	46.490	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.420
Number of reflections	70363
<I/σ(I)>	13.1	3.4
Completeness [%]	99.6	100
Redundancy	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		pH 5.5