7LP7

The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476

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	2019-04-17
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	89.578, 89.578, 133.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.790 - 2.500
R-factor	0.2178
Rwork	0.216
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.006
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.430	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	1.077
Rmeas	0.087	1.238
Rpim	0.031	0.442
Number of reflections	9782	1081
<I/σ(I)>	17	2
Completeness [%]	100.0	100
Redundancy	7.8	7.7
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293