3TP5

Crystal structure of Staphylococcal nuclease variant Delta+NVIAGLA V23E/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	2011-04-03
Detector	BRUKER APEX II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	30.941, 60.666, 78.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.490 - 1.800
R-factor	0.1931
Rwork	0.191
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.821
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]	39.490	39.490	1.830
High resolution limit [Å]	1.800	5.100	1.800
Rmerge	0.020	0.007	0.214
Number of reflections	14426	728	460
<I/σ(I)>	40.81
Completeness [%]	99.9	99.5	100
Redundancy	1	0.99	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	31% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K