3U9O

Crystal structure of Staphylococcal nuclease variant NVIAGA/N100G at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-15
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	48.825, 48.825, 63.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.340 - 1.950
R-factor	0.1962
Rwork	0.191
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdf
RMSD bond length	0.018
RMSD bond angle	1.765
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.021	0.285
Number of reflections	10952
<I/σ(I)>	33.8	3.28
Completeness [%]	99.9	99.9
Redundancy	28.81	15.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	40% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K