6EJS

Nuclease NucB from Bacillus licheniformis in P212121 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	CCD
Collection date	2012-11-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.9,0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	32.534, 47.414, 56.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.280 - 1.600
R-factor	0.1921
Rwork	0.188
R-free	0.24000
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.778
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.037	0.116
Rmeas	0.043	0.142
Rpim	0.022	0.079
Number of reflections	10804	448
<I/σ(I)>	29.8
Completeness [%]	90.1	77.7
Redundancy	6.7	5.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	2.2 M ammonium sulphate, 0.1 M Tris pH 8.5