5A0W

THE CRYSTAL STRUCTURE OF I-DMOI E117A IN COMPLEX WITH ITS TARGET DNA AND IN THE PRESENCE OF 2MM MN

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
Spacegroup name	P 1 21 1
Unit cell lengths	106.928, 69.770, 106.985
Unit cell angles	90.00, 120.06, 90.00

Refinement procedure

Resolution	29.220 - 2.200
R-factor	0.1725
Rwork	0.171
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vs8
RMSD bond length	0.007
RMSD bond angle	1.237
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]	29.220	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.320
Number of reflections	120214
<I/σ(I)>	16.7	2.8
Completeness [%]	96.9	95.1
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1