1Q39

Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The WT enzyme at 2.8 resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-12
Detector	BRANDEIS - B4
Wavelength(s)	1.041
Spacegroup name	I 2 2 2
Unit cell lengths	57.721, 79.578, 169.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.020 - 2.800
Rwork	0.216
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The NEI protein from PDB 1K3X.
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.098	0.518
Number of reflections	10629
Completeness [%]	85.2	88.8
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	288	0.16M calcium acetate, 0.08M sodium cacodylate pH 6.5, 14.4% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 288K