5E5O

I-SmaMI bound to uncleaved DNA target in the presence of Calcium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-10
Detector	RIGAKU SATURN 70
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	61.327, 67.993, 97.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 - 2.360
R-factor	0.19209
Rwork	0.188
R-free	0.27353
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lox
RMSD bond length	0.017
RMSD bond angle	2.086
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	2.440
High resolution limit [Å]	2.360	2.360
Rmerge	0.122	0.809
Number of reflections	17265
<I/σ(I)>	14.8	2
Completeness [%]	99.2	93.3
Redundancy	6.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG MME550, HEPES