3U43

Crystal structure of the colicin E2 DNase-Im2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 21 21 2
Unit cell lengths	121.814, 53.277, 32.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 1.720
R-factor	0.1638
Rwork	0.162
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.140
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	121.814	48.813	1.810
High resolution limit [Å]	1.714	5.420	1.710
Rmerge		0.040	0.427
Total number of observations		5476	16598
Number of reflections	23549
<I/σ(I)>	14.4	15.5	1.8
Completeness [%]	99.1	99.9	93.9
Redundancy	6.9	6.3	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M MMT, 27% PEG1500, pH 7.0, vapor diffusion, sitting drop, temperature 293K