7K33

Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	151.500, 151.500, 119.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.300 - 3.110
R-factor	0.1928
Rwork	0.191
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zb8
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.300	88.300	3.310
High resolution limit [Å]	3.100	8.770	3.100
Rmerge	0.077	0.028	1.301
Rmeas	0.098	0.034	1.640
Rpim	0.059	0.020	0.989
Total number of observations	45115	1998	8505
Number of reflections	17780	773	3314
<I/σ(I)>	7.4	27	1.1
Completeness [%]	96.0	94.5	98
Redundancy	2.5	2.6	2.6
CC(1/2)	0.998	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	15 mM Tris-HCl pH 7.4, 0.15 M NaCl, 1 mM MgCl2, and 4 mM beta-mercaptoethanol