7MX0

The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-24
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.631, 89.631, 133.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.400 - 2.480
R-factor	0.2114
Rwork	0.209
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7knr
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.490	2.580
High resolution limit [Å]	2.480	2.480
Rmerge	0.065	1.040
Rpim	0.028	0.455
Number of reflections	10008	1089
<I/σ(I)>	20.8	2
Completeness [%]	99.9	100
Redundancy	6.2	6.1
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15