6EJU

Nuclease NucB from Bacillus licheniformis in P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.823
Spacegroup name	P 1
Unit cell lengths	23.227, 48.000, 52.203
Unit cell angles	75.51, 89.53, 89.60

Refinement procedure

Resolution	46.470 - 1.900
R-factor	0.1738
Rwork	0.174
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ejt
RMSD bond length	0.014
RMSD bond angle	1.670
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.470	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.182
Rmeas	0.056	0.236
Rpim	0.034	0.148
Number of reflections	15502	722
<I/σ(I)>	19.1	5.4
Completeness [%]	90.1	64.6
Redundancy	4.7	3.9
CC(1/2)	0.979	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	1.8 M ammonium sulfate, 0.1 M sodium acetate pH 4.6 0.02 M MnCl2 (soaked)