5F8A

Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-11-18
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	46.430, 52.860, 65.310
Unit cell angles	70.61, 73.24, 81.81

Refinement procedure

Resolution	36.673 - 1.760
R-factor	0.16402
Rwork	0.160
R-free	0.19914
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b95
RMSD bond length	0.017
RMSD bond angle	1.574
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	SCALA (CCP4interface 6.5.019)
Phasing software	PHASER (CCP4interface 6.5.019)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.673	1.850
High resolution limit [Å]	1.760	1.760
Rmerge	0.051	0.196
Number of reflections	51697
<I/σ(I)>	14.7	4.4
Completeness [%]	93.0	88.9
Redundancy	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	285	4.5 mg/mL (monomer), protein(dimer):DNA - 1:1, Enzyme:Well - 3uL:3uL, Well - 500uL of 100 mM HEPES pH 7.4, 8% Ethylene glycol, 4% Polyethylene glycol 8000, 10% glycerol.