4E5F

Crystal structure of avian influenza virus PAn bound to compound 1

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	2011-04-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	126.568, 134.321, 126.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.086 - 2.392
R-factor	0.2442
Rwork	0.242
R-free	0.28770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5e
RMSD bond length	0.010
RMSD bond angle	1.148
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.086	46.086	2.490
High resolution limit [Å]	2.392	5.170	2.392
Rmerge	0.072	0.039	0.488
Number of reflections	42645
<I/σ(I)>	10.3
Completeness [%]	99.9	99.5	100
Redundancy	10.3	10	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1.5 M ammonium sulfate, 2% PEG1500, 1 mM manganese chloride, 0.1 M Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K