5WDN

Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6d (SRI-29680)

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	2013-11-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	60.168, 60.168, 94.443
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.991 - 2.100
R-factor	0.2176
Rwork	0.217
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.504
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	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.078	0.055	0.679
Rmeas	0.082	0.058	0.713
Rpim	0.025	0.019	0.216
Total number of observations	129170
Number of reflections	12016
<I/σ(I)>	15.1
Completeness [%]	99.7	97.6	100
Redundancy	10.7	9.8	10.7
CC(1/2)		0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.8 M Succinic Acid pH 7.0, 2 mM MnCl2, 2 mM MgCl2