3SK6

Crystal structure of Staphylococcal nuclease variant Delta+NVIAGLA V23K/L36E at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-14
Detector	BRUKER APEX II
Spacegroup name	P 21 21 21
Unit cell lengths	31.012, 60.472, 79.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.120 - 1.800
R-factor	0.1998
Rwork	0.198
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.016
RMSD bond angle	1.493
Data reduction software	XPREP (2008/2 for Windows)
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.120	33.120	1.830
High resolution limit [Å]	1.800	5.110	1.800
Rmerge	0.047	0.014	0.370
Number of reflections	14455	724	465
<I/σ(I)>	19.51
Completeness [%]	100.0	99.3	100
Redundancy	21.79	35.41	9.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	30% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K