6FBU

Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate

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	2001-12-24
Detector	MAR CCD 165 mm
Wavelength(s)	1.102
Spacegroup name	P 43 2 2
Unit cell lengths	75.340, 75.340, 164.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.251 - 2.000
R-factor	0.2434
Rwork	0.241
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oq4
RMSD bond length	0.009
RMSD bond angle	1.065
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.730	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.107	0.792
Rmeas	0.116	0.866
Rpim	0.045	0.347
Number of reflections	32845	2385
<I/σ(I)>	9.7	1.9
Completeness [%]	99.8	99.9
Redundancy	6.6	6.1
CC(1/2)	0.997	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	1.8M ammonium sulfate, 0.1M sodium acetate pH