5WCT

Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6c (SRI-29775)

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	2013-10-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 64 2 2
Unit cell lengths	74.561, 74.561, 125.062
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.023 - 2.300
R-factor	0.2206
Rwork	0.219
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.883
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.107	0.066	0.990
Rmeas	0.111	0.069	1.024
Rpim	0.027	0.018	0.252
Number of reflections	9479
<I/σ(I)>	8.4
Completeness [%]	97.6	96.2	88.7
Redundancy	16.5	15.6	15
CC(1/2)		0.998	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	1 M LiCl, 0.1 M Na-Acetate, 24% PEG 6000, 0.1 M Tris pH 8.5