4N9P

Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T 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	2012-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	31.234, 60.133, 38.340
Unit cell angles	90.00, 94.72, 90.00

Refinement procedure

Resolution	38.210 - 1.400
R-factor	0.1772
Rwork	0.176
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.961
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.050	0.048	0.153
Number of reflections	26893
<I/σ(I)>	18.8		12.3
Completeness [%]	96.2	95.4	93.2
Redundancy	6.3	6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	25% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K