8B9N

Crystal structure of NEI domain of mouse NEIL3 trapped in covalent complex with ssDNA with abasic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 41 2 2
Unit cell lengths	75.056, 75.056, 220.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.220 - 2.000
R-factor	0.2411
Rwork	0.239
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w0f
RMSD bond length	0.005
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.220	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.219	2.119
Rmeas	0.224	2.192
Rpim	0.047	0.546
Number of reflections	43404	4124
<I/σ(I)>	12.15	1.1
Completeness [%]	95.6	96.28
Redundancy	23.2	15
CC(1/2)	0.999	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	50 mM HEPES.Na pH 7.0, 5 mM MgCl2, 25% PEG MME 550