5EG9

The cap binding site of influenza virus protein PB2 as a drug target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	37.133, 109.010, 39.655
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.1945
Rwork	0.191
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eg8
RMSD bond length	0.013
RMSD bond angle	1.638
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.071	0.048	0.194
Rmeas	0.097	0.066	0.267
Rpim	0.066	0.044	0.183
Total number of observations	21876
Number of reflections	11663
<I/σ(I)>	13.1
Completeness [%]	87.7	82.5	92.6
Redundancy	1.8	1.9	1.7
CC(1/2)		0.986	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	10% PEG 3350