6WIJ

The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448

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	2020-03-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.700
Spacegroup name	I 4 2 2
Unit cell lengths	89.564, 89.564, 132.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.270 - 2.440
R-factor	0.2171
Rwork	0.215
R-free	0.26450
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]	74.270	2.540
High resolution limit [Å]	2.440	2.440
Rmerge	0.208	1.464
Rmeas	0.213	1.499
Rpim	0.047	0.319
Number of reflections	10430	1156
<I/σ(I)>	7.5	1.9
Completeness [%]	100.0	100
Redundancy	20.9	21.6
CC(1/2)	0.995	0.866

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