4E6I

Crystal structure of Staphylococcal nuclease variant NVIAGA V99G at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-06
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	68.337, 68.337, 63.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.520 - 2.000
R-factor	0.2166
Rwork	0.211
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdf
RMSD bond length	0.018
RMSD bond angle	1.978
Data reduction software	XPREP (2008/2 for Windows)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.610	31.610	2.040
High resolution limit [Å]	2.000	5.500	2.000
Rmerge	0.032	0.010	0.503
Number of reflections	19825	923	1048
<I/σ(I)>	23.95
Completeness [%]	100.0	99.1	100
Redundancy	29.77	42.5	16.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	35% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K