4EVO

Crystal structure of Staphylococcal nuclease variant NVIAGA/E122G 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	2010-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 41
Unit cell lengths	48.745, 48.745, 63.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.520 - 1.950
R-factor	0.1886
Rwork	0.184
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdf
RMSD bond length	0.019
RMSD bond angle	1.885
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	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.055	0.042	0.253
Number of reflections	10871
<I/σ(I)>	17.9
Completeness [%]	99.6	91.9	100
Redundancy	14.6	13.4	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	44% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K