3TP6

Crystal structure of Staphylococcal nuclease variant Delta+PHS L36E/L103K at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-20
Detector	BRUKER APEX II
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	31.178, 60.472, 38.063
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	37.980 - 1.800
R-factor	0.1807
Rwork	0.179
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.015
RMSD bond angle	1.509
Data reduction software	XPREP (2008/2 for Windows)
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.470	60.470	1.840
High resolution limit [Å]	1.800	4.970	1.800
Rmerge	0.023	0.010	0.170
Number of reflections	13167	661	658
<I/σ(I)>	31.62
Completeness [%]	100.0	99.8	100
Redundancy	11.93	20.6	4.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	22% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K