3NP8

Crystal structure of Staphylococcal nuclease variant Delta+PHS L36A 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	31.011, 60.404, 38.275
Unit cell angles	90.00, 93.77, 90.00

Refinement procedure

Resolution	30.940 - 1.700
R-factor	0.1933
Rwork	0.189
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3BDC with all H2Os Ca2+ and THP removed and the following truncations: H8A T13A L36A Q30A K64A T82A Y113A V114A Y115A; all b-factors were reset to 20 A^2.
RMSD bond length	0.017
RMSD bond angle	1.677
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.040	0.026	0.253
Number of reflections	15463
<I/σ(I)>	21.9
Completeness [%]	98.9	91.8	92.6
Redundancy	7.1	7	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	20% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 6.0, vapor diffusion, hanging drop, temperature 277K