4K5W

Crystal structure of Staphylococcal nuclease variant V23M/L25F/T62F 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)	1.0000
Spacegroup name	P 41
Unit cell lengths	47.641, 47.641, 62.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.640 - 1.650
R-factor	0.1738
Rwork	0.172
R-free	0.20180
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	0.060	0.054	0.255
Number of reflections	16839
<I/σ(I)>	17.1		10.8
Completeness [%]	100.0	100	100
Redundancy	12.6	11.8	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	32% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K