5WFM

Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10e (SRI-30024)

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	2016-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	I 4 2 2
Unit cell lengths	90.902, 90.902, 133.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.895 - 2.251
R-factor	0.2058
Rwork	0.205
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.562
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	0.079	0.042
Rmeas	0.083	0.044
Rpim	0.027	0.014	0.389
Number of reflections	13665
<I/σ(I)>	11.3
Completeness [%]	99.9	99.7	99.9
Redundancy	10.7	10.2	8.9
CC(1/2)		0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	291	1 M Ammonium Sulfate, CAPSO pH 9.4, 50 mM MnCl2, 50 mM MgCl2