6EUV

Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindole cap-binding inhibitor (VX-787)

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	2017-10-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.966
Spacegroup name	P 1
Unit cell lengths	54.490, 80.320, 92.320
Unit cell angles	89.54, 107.12, 99.11

Refinement procedure

Resolution	43.350 - 2.700
R-factor	0.24469
Rwork	0.243
R-free	0.28168
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eux
RMSD bond length	0.010
RMSD bond angle	1.491
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.091	0.698
Number of reflections	38468
<I/σ(I)>	5.99	1.02
Completeness [%]	94.8	94.2
Redundancy	1.69	1.55
CC(1/2)	0.991	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Crystals were obtained by mixing protein at 16 mg per mL mixed with 2 mM VX-787 in 0.1 M MES pH6, 0.7 M sodium formate pH 6.