4K6D

Crystal structure of Staphylococcal nuclease variant V23M/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)	1.1000
Spacegroup name	P 41
Unit cell lengths	47.532, 47.532, 62.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.530 - 1.650
R-factor	0.1914
Rwork	0.190
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1snc
RMSD bond length	0.019
RMSD bond angle	1.825
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	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.065	0.055	0.307
Number of reflections	20334
<I/σ(I)>	14.9		8.7
Completeness [%]	100.0	99.9	100
Redundancy	12.5	11.7	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	34% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K