5FDD

Endonuclease inhibitor 1 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	66.397, 66.397, 127.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.793 - 2.506
R-factor	0.2024
Rwork	0.201
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zqq
RMSD bond length	0.006
RMSD bond angle	0.794
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (phenix.refine: 1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.152	0.089	1.195
Rmeas	0.160	0.094	1.270
Rpim	0.047	0.030	0.422
Total number of observations	117975
Number of reflections	10401
<I/σ(I)>	9.1
Completeness [%]	99.9	99.2	100
Redundancy	11.3	9.3	8.8
CC(1/2)		0.995	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	Crystals were grown with the reservoir containing 100 mM MES, 1.1 M ammonium sulfate, 0.1 M potassium chloride and 9 % trehalose at pH 5.8. Crystal was then soaked with the ligand solution at pH 7.0.