5VPT

2009 H1N1 PA Endonuclease in complex with RO-7

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	CCD
Collection date	2017-02-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	89.881, 89.881, 133.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.495 - 2.100
R-factor	0.2012
Rwork	0.200
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vp8
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.495	2.166
High resolution limit [Å]	2.091	2.091
Rmerge	0.047	0.602
Rmeas	0.050	0.658
Rpim	0.017	0.256
Total number of observations	127165
Number of reflections	16185	1321
<I/σ(I)>	10.9
Completeness [%]	97.5	82.04
Redundancy	7.9	5.3
CC(1/2)		0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1 M HEPES pH 7.8, 1 M Ammonium Sulfate, 10 mM MnCl2, 10 mM MgCl2, 0.5% PVP K15