4RKB

Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T/V99T at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	277
Detector technology	CCD
Collection date	2014-01-23
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	30.975, 60.544, 37.948
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	37.890 - 1.880
R-factor	0.1874
Rwork	0.185
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.019
RMSD bond angle	1.991
Data reduction software	XPREP (2008/2 for Windows)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.540	60.540	2.150
High resolution limit [Å]	1.880	5.180	2.090
Rmerge	0.053	0.042	0.198
Number of reflections	11479	575	669
<I/σ(I)>	26.46		4.17
Completeness [%]	100.0	99.7	100
Redundancy	11.64	24.95	7.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	30% MPD, 25 mM Potassium Phosphate, Calcium Chloride, pdTp , pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K