7K31

Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI 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	151.120, 151.120, 117.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	87.470 - 2.880
R-factor	0.185
Rwork	0.182
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zb8
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.470	87.460	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge	0.055	0.030	1.010
Rmeas	0.072	0.040	1.305
Rpim	0.045	0.026	0.820
Total number of observations		1518	7830
Number of reflections	22027	655	3297
<I/σ(I)>	10	34	1.2
Completeness [%]	94.2	90	96.2
Redundancy	2.3	2.3	2.4
CC(1/2)	0.990	0.986	0.796

Crystallization Conditions

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