5AKF

THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN

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	106.820, 70.470, 107.100
Unit cell angles	90.00, 119.88, 90.00

Refinement procedure

Resolution	42.650 - 2.450
R-factor	0.1789
Rwork	0.176
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vs7
RMSD bond length	0.007
RMSD bond angle	1.239
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]	56.140	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.080	0.740
Number of reflections	50841
<I/σ(I)>	10	2.1
Completeness [%]	99.2	99
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1