8EDD

Staphylococcus aureus endonuclease IV Y33F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	150
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	39.477, 41.987, 152.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.490 - 1.500
R-factor	0.1721
Rwork	0.170
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8axy
RMSD bond length	0.005
RMSD bond angle	0.755
Data reduction software	DIALS (3.dev.683)
Data scaling software	xia2 (3.9.dev0)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	152.770	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.181	3.394
Rmeas	0.189	3.527
Rpim	0.052	0.955
Number of reflections	41699	2173
<I/σ(I)>	7.3	0.4
Completeness [%]	100.0	99.86
Redundancy	13.19	13.51
CC(1/2)	0.998	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Protein in 20 mM phosphate. Precipitant: 20-30% polyethylene glycol 3350, 200 mM NaCl, 100 mM BisTris, pH 6.5