4ODG

Crystal structure of Staphylococcal nuclease variant V23I/V66I/V74I/V99I at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 41
Unit cell lengths	47.786, 47.786, 63.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 1.730
R-factor	0.1918
Rwork	0.190
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.020
RMSD bond angle	1.985
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmerge	0.062	0.061	0.211
Number of reflections	14929
<I/σ(I)>	19.6		11.5
Completeness [%]	99.9	99.7	99.6
Redundancy	11.9	9.8	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	24% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K