5I13

Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0

Replaces:  5FDE

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)	0.9800
Spacegroup name	P 41 21 2
Unit cell lengths	66.580, 66.580, 128.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.956 - 2.151
R-factor	0.2078
Rwork	0.206
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zqq
RMSD bond length	0.008
RMSD bond angle	0.985
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (11.0.05)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.074	1.034
Number of reflections	16066
<I/σ(I)>	12.2
Completeness [%]	98.0	99.4
Redundancy	9	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	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.