4KD4

Crystal structure of Staphylococcal nuclease variant V23L/L25V/V66I/I72V 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	2011-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9790
Spacegroup name	P 41
Unit cell lengths	47.640, 47.640, 62.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.640 - 1.550
R-factor	0.1786
Rwork	0.177
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.019
RMSD bond angle	1.996
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	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.034	0.042	0.195
Number of reflections	20413
<I/σ(I)>	26.2		13.8
Completeness [%]	99.9	99.8	99.6
Redundancy	12.6	12.4	10

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 8.0, vapor diffusion, hanging drop, temperature 277K