1V13

CRYSTAL STRUCTURE OF THE MUTANT HIS103ALA OF THE COLICIN E9 DNASE DOMAIN IN COMPLEX WITH ZN+2 (2.0 ANGSTROMS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	52.693, 61.441, 91.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.640 - 2.000
R-factor	0.234
Rwork	0.230
R-free	0.30700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1emv
RMSD bond length	0.016
RMSD bond angle	1.751
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.094	0.410
Number of reflections	18519
<I/σ(I)>	10.8	2.8
Completeness [%]	91.7	95
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.8		pH 5.80