8QJM

SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with cytidine-5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2 70 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-21
Detector	Bruker PHOTON II
Wavelength(s)	1.3418
Spacegroup name	P 1 21 1
Unit cell lengths	43.139, 72.805, 81.238
Unit cell angles	90.00, 105.07, 90.00

Refinement procedure

Resolution	41.660 - 1.650
R-factor	0.1732
Rwork	0.173
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.607
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.660	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.124	0.596
Rmeas	0.149	0.722
Number of reflections	57878	2787
<I/σ(I)>	6.8
Completeness [%]	99.2
Redundancy	3.2
CC(1/2)	0.961	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.2 M Lithium sulfate 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350. Protein concentration 7.5 mg/ml. Cryo-protection by PEG400 30 % v/v.