6EUY

Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 2 2 21
Unit cell lengths	49.461, 112.322, 201.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.031 - 3.000
R-factor	0.2347
Rwork	0.233
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fmm
RMSD bond length	0.002
RMSD bond angle	0.510
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000	3.000
Rmerge	0.065	0.634
Number of reflections	42728	6839
<I/σ(I)>	9.36	1.45
Completeness [%]	98.2	97.7
Redundancy	4.8	4.7
CC(1/2)	0.997	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystals were obtained with A/H3N2 double domain at 15 mg/ml in 20 mM Tris pH 8, 150 mM NaCl, 5% glycerol, 2 mM beta-mercaptoethanolmixed with 5 mM of VX-787 mixed with 0.2 M ammonium sulphate, 20% PEG3350