5CR3

Crystal structure of Staphylococcal nuclease variant Delta+PHS V104E/L125E at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	110
Detector technology	CCD
Collection date	2015-06-20
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	31.065, 60.360, 38.526
Unit cell angles	90.00, 93.86, 90.00

Refinement procedure

Resolution	38.440 - 1.800
R-factor	0.1808
Rwork	0.178
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.017
RMSD bond angle	1.760
Data reduction software	APEX (2013/1 for Windows)
Data scaling software	APEX (2013/1 for Windows)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.046	0.216
Total number of observations	83300
Number of reflections	13254
<I/σ(I)>	16.59	4.54
Completeness [%]	99.9	100
Redundancy	5.91	3.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	22% MPD, 25 mM potassium phosphate, calcium chloride, pdTp