4K5X

Crystal structure of Staphylococcal nuclease variant V23M/L36F 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	2013-04-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1000
Spacegroup name	P 41
Unit cell lengths	47.645, 47.645, 62.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.650 - 1.650
R-factor	0.1882
Rwork	0.187
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.019
RMSD bond angle	1.971
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.038	0.029	0.314
Number of reflections	17052
<I/σ(I)>	16.9		9.5
Completeness [%]	99.8	100	99.3
Redundancy	12.8	12.8	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	30% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K