8PKB

Staphylococcus aureus endonuclease IV with bound phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	38.548, 84.040, 103.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.900
R-factor	0.1888
Rwork	0.188
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.000	44.000	1.980
High resolution limit [Å]	1.900	3.790	1.900
Rmerge	0.209	0.092	1.165
Rmeas	0.229		2.278
Rpim	0.093
Number of reflections	50721	3624	3343
<I/σ(I)>	9.7	20	1.5
Completeness [%]	99.8	99.97	100
Redundancy	5.9	5.49	6.14
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	200 nl protein mixed with 200 nl precipitant Protein: 9 mg/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl was mixed with 20 mM phosphate (final concentration). Precipitant: 28% PEG 3350, 250 mM NaCl, 100 mM Tris-HCl pH 8.5