5WA6

Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30007

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	90.563, 90.563, 135.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.797 - 2.250
R-factor	0.2321
Rwork	0.231
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.593
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.066	0.032	1.126
Rmeas	0.071	0.035	1.215
Rpim	0.025	0.013	0.448
Number of reflections	13745
<I/σ(I)>	11.9
Completeness [%]	99.9	99.7	99.4
Redundancy	7.8	7.4	7
CC(1/2)		0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1 M HEPES pH 7.8, 1.0 M AmSO4, 10 mM MnCl2, 10 mM MgCl2, 1% PVP K15