1Q3C

Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The E2A mutant at 2.3 resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-23
Detector	MAR CCD 165 mm
Wavelength(s)	1.102
Spacegroup name	I 2 2 2
Unit cell lengths	57.779, 81.067, 169.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.690 - 2.300
R-factor	0.245
Rwork	0.245
R-free	0.30400
Structure solution method	AB INITIO PHASING
Starting model (for MR)	PDB code 1Q3B Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The R252A mutant at 2.05 resolution.
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.330
High resolution limit [Å]	2.300	2.290
Rmerge	0.062	0.487
Number of reflections	17458
Completeness [%]	91.7	88.2
Redundancy	3.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	25% PEG 400, 0.1M Tris-HCl pH 8.0, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 288K