5WL0

Co-crystal structure of Influenza A H3N2 PB2 (241-741) bound to VX-787

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	142.413, 56.752, 82.014
Unit cell angles	90.00, 111.23, 90.00

Refinement procedure

Resolution	43.000 - 2.400
R-factor	0.2055
Rwork	0.203
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2JDQ & 2VQZ
RMSD bond length	0.010
RMSD bond angle	1.170
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	24138	2401
<I/σ(I)>	13.07	1.63
Completeness [%]	99.0	100
Redundancy	3.7	3.8
CC(1/2)	0.997	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.77	277	0.1 M MES, pH 5.77, 13.18% PEG20000