5EKL

Crystal structure of Staphylococcal nuclease variant Delta+PHS T62D/N100E at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	110
Detector technology	CCD
Collection date	2015-07-02
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	30.927, 59.855, 79.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 2.100
R-factor	0.1883
Rwork	0.185
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.018
RMSD bond angle	1.865
Data reduction software	APEX 2
Data scaling software	APEX 2
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.042	0.172
Total number of observations	138608
Number of reflections	9178
<I/σ(I)>	20.71	5.58
Completeness [%]	100.0	100
Redundancy	11.52	8.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	21% MPD, 25 mM potassium phosphate, calcium chloride, pdTp