4EQN

Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/I72K at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	32.567, 61.081, 72.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.020 - 1.800
R-factor	0.177
Rwork	0.175
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.747
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.064	0.066	0.152
Number of reflections	13666
<I/σ(I)>	15
Completeness [%]	98.2	100	83.5
Redundancy	10.6	10.6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	25% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K