6VG9

The crystal structure of the 2009 H1N1/California PA endonuclease I38T mutant in complex with SJ000986248

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)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	90.571, 90.571, 133.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.020 - 2.750
R-factor	0.2386
Rwork	0.238
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vpt
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.010	2.880
High resolution limit [Å]	2.750	2.750
Rmerge	0.060	0.949
Rmeas	0.067
Rpim	0.029	0.430
Number of reflections	7509	992
<I/σ(I)>	14.1	1.9
Completeness [%]	99.4
Redundancy	5.3
CC(1/2)	0.999	0.726

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