4HTE

Crystal Structure of the C-terminal domain of Nicking Enzyme from Staphylococcus aureus

Experimental procedure

Experimental method	MULTIPLE WAVELENGTH ANOMALOUS SCATTERING
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08
Wavelength(s)	0.97935,0.97954, 0.94936
Spacegroup name	P 43 21 2
Unit cell lengths	75.284, 75.284, 179.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.809 - 3.000
R-factor	0.2699
Rwork	0.267
R-free	0.29160
Structure solution method	MAD
RMSD bond length	0.003
RMSD bond angle	0.553
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.050
High resolution limit [Å]	3.000	8.140	3.000
Rmerge	0.083	0.036	0.770
Number of reflections	11051
<I/σ(I)>	8.2	70	2.8
Completeness [%]	99.7	95.3	100
Redundancy	9.4	8.1	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	12-16% PEG 6000, 0.1 M Tris-HCl pH 8.0, 0.5 M LiCl, 12.5% glycerol, and 5% PEG-400, vapor diffusion, hanging drop, temperature 293K