4UN9

THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 8H INCUBATION IN 5MM MN (STATE 3)

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	107.025, 70.657, 107.259
Unit cell angles	90.00, 119.58, 90.00

Refinement procedure

Resolution	42.860 - 2.734
R-factor	0.1804
Rwork	0.178
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vs7
RMSD bond length	0.010
RMSD bond angle	1.284
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]	46.650	2.850
High resolution limit [Å]	2.730	2.730
Rmerge	0.110	0.570
Number of reflections	39637
<I/σ(I)>	10.5	2.3
Completeness [%]	99.9	99.9
Redundancy	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6