7AS0

Influenza A PB2 in complex with VX-787

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-28
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 1
Unit cell lengths	29.300, 36.950, 38.340
Unit cell angles	71.12, 75.62, 76.26

Refinement procedure

Resolution	35.640 - 1.550
R-factor	0.1849
Rwork	0.183
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p1u
RMSD bond length	0.013
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.640	35.640	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.054	0.045	0.136
Rmeas	0.064	0.052	0.184
Total number of observations	52818
Number of reflections	20014	234	1471
<I/σ(I)>	12.02	25.95	4.27
Completeness [%]	94.7	97.1	95.3
Redundancy	2.639	4.013	1.83
CC(1/2)	0.997	0.997	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	Sodium fluoride, Sodium bromide, Sodium iodide, Imidazole, MES monohydrate (acid), PEG 500, PEG 20000