5WE7

Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-29782

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	2014-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	60.923, 60.923, 95.361
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.375 - 2.120
R-factor	0.1929
Rwork	0.192
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.546
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	2.200
High resolution limit [Å]	2.120	4.570	2.120
Rmerge	0.099	0.056	0.941
Rmeas	0.102	0.057	0.978
Rpim	0.023	0.013	0.259
Total number of observations	240283
Number of reflections	12164
<I/σ(I)>	7.1
Completeness [%]	100.0	100	99.9
Redundancy	19.8	19.5	12.3
CC(1/2)		0.999	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.8 M Succinic Acid pH 7.0, 1 mM MnCl2, 1 mM MgCl2