7LP8

The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	89.877, 89.877, 132.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.470 - 2.550
R-factor	0.2175
Rwork	0.216
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.002
RMSD bond angle	0.541
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]	74.400	2.660
High resolution limit [Å]	2.550	2.550
Rmerge	0.093	1.090
Rmeas	0.109	1.247
Rpim	0.041	0.455
Number of reflections	9199	1088
<I/σ(I)>	10.5	1.9
Completeness [%]	100.0	100
Redundancy	7	7.4
CC(1/2)	0.997	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES PH 7.8, 1 M AMMONIUM SULFATE, 10 MM MNCL2, 10 MM MGCL2, 0.5% PVP K15