4ID6

Crystal Structure of Staphylococcal nuclease mutant V23I/I72L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	298
Detector technology	CCD
Collection date	2012-04-12
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	48.300, 48.300, 63.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.600 - 1.898
R-factor	0.19012
Rwork	0.188
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBD ENTRY 1EY0
RMSD bond length	0.024
RMSD bond angle	2.067
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CCP4
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.620	2.580	1.970
High resolution limit [Å]	1.898	2.390	1.898
Rmerge	0.048	0.036	0.048
Number of reflections	11415
<I/σ(I)>	10.2	4.8	1.3
Completeness [%]	98.1	97.6	98.1
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K