3T16

Crystal structure of Staphylococcal nuclease variant NVIAGA/M98G 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	CCD
Collection date	2009-08-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 41
Unit cell lengths	48.649, 48.649, 63.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 1.800
R-factor	0.1825
Rwork	0.181
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rdf
RMSD bond length	0.020
RMSD bond angle	1.762
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
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	0.043	0.031	0.295
Number of reflections	13663
<I/σ(I)>	22
Completeness [%]	99.5	91.1	100
Redundancy	14.7	13.5	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	41% MPD, 25 mM potassium phosphate, calcium chloride, pdTp, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K