6EJV

Nuclease NucB from Bacillus licheniformis in sulphate free conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2+ 70 kV
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-05-05
Detector	Bruker PHOTON II
Wavelength(s)	1.3418
Spacegroup name	P 21 21 21
Unit cell lengths	56.440, 58.470, 72.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.500 - 1.750
R-factor	0.1574
Rwork	0.157
R-free	0.16670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ejs
RMSD bond length	0.019
RMSD bond angle	1.818
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.090	0.872
Rmeas	0.101	1.018
Rpim	0.045	0.518
Number of reflections	24852	1354
<I/σ(I)>	17.9	1.8
Completeness [%]	99.9	100
Redundancy	9.1	7.1
CC(1/2)	0.998	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.12 M 1,6-Hexanediol 0.12 M 1-Butanol 0.12 M 1,2-Propanediol 0.12 M 2-Propanol 0.12 M 1,4-Butanediol 0.12 M 1,3-Propanediol 0.1 M Tris and Bicine pH 8.5 12.5 % v/v 2-Methyl- -2,4,-pentanediol 12.5 % PEG 1000 12.5 % w/v PEG 3350