7N8F

The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288

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	2019-08-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	89.887, 89.887, 133.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.970 - 2.350
R-factor	0.2193
Rwork	0.217
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
RMSD bond length	0.002
RMSD bond angle	0.535
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]	74.630	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.047	0.742
Rpim	0.023	0.354
Number of reflections	11610	1137
<I/σ(I)>	12.4	1.9
Completeness [%]	98.8
Redundancy	4.9
CC(1/2)	0.999	0.865

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