3NK9

Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A 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	CCD
Collection date	2010-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.075, 60.435, 38.129
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	30.220 - 1.650
R-factor	0.1855
Rwork	0.181
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A Q30A K64A V74A T82A Y113A V114A and Y115A; all b-factors were reset to 20 A^2.
RMSD bond length	0.015
RMSD bond angle	1.611
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.046	0.038	0.183
Number of reflections	16836
<I/σ(I)>	22.3
Completeness [%]	98.8	89.7	96
Redundancy	7.2	6.8	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	22% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 8.0, vapor diffusion, hanging drop, temperature 277K