4PNY

Crystal structure of Staphylococcal nuclease variant Delta+PHS I72H at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	110
Detector technology	CCD
Collection date	2013-06-22
Detector	BRUKER APEX
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	31.172, 60.573, 37.442
Unit cell angles	90.00, 93.79, 90.00

Refinement procedure

Resolution	31.800 - 1.680
R-factor	0.1975
Rwork	0.195
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.016
RMSD bond angle	1.904
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.030	0.209
Number of reflections	15921
<I/σ(I)>	20.59	4.35
Completeness [%]	99.9	100
Redundancy	8	5.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K