7MTY

The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569

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	89.730, 89.730, 134.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.440 - 2.380
R-factor	0.2217
Rwork	0.220
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k87
RMSD bond length	0.002
RMSD bond angle	0.547
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]	74.560	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.057	1.064
Rpim	0.025	0.461
Number of reflections	11325	1151
<I/σ(I)>	21.4	2
Completeness [%]	99.9	100
Redundancy	6.2	6.1
CC(1/2)	1.000	0.747

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