4R8N

Crystal structure of Staphylococcal nuclease variant V23I/V66I/I72V/I92V 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	2013-04-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 41
Unit cell lengths	47.605, 47.605, 62.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 1.650
R-factor	0.1963
Rwork	0.194
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.018
RMSD bond angle	1.887
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

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	0.041	0.044	0.274
Number of reflections	16933
<I/σ(I)>	20.8		12.1
Completeness [%]	100.0	99.9	100
Redundancy	13	12.3	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	20% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K