5CV5

Crystal structure of Staphylococcal nuclease variant Delta+PHS K64G/V66K/E67G at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	110
Detector technology	CCD
Collection date	2014-07-18
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	30.831, 60.549, 77.901
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1869
Rwork	0.185
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.017
RMSD bond angle	1.792
Data reduction software	APEX
Data scaling software	APEX (2008/2 for Windows)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	60.550	1.840
High resolution limit [Å]	1.800	4.960	1.800
Rmerge	0.026	0.037	0.234
Total number of observations	510698
Number of reflections	26668	1338	1291
<I/σ(I)>	29.29	85.12	4.24
Completeness [%]	100.0	99.9	100
Redundancy	18.84	27.3	7.33

Crystallization Conditions

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