5IEQ

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-747 1-(4-chlorophenyl)-1H-imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 65 2 2
Unit cell lengths	69.370, 69.370, 397.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.941 - 2.200
R-factor	0.1778
Rwork	0.175
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.893
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.941	47.941	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.076	0.031	0.578
Number of reflections	30171
<I/σ(I)>	17.43	38.73	3.52
Completeness [%]	99.6	95.1	100
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	20 mg/mL protein against Morpheus H6, 10% PEG 8000, 20% EG, 0.02 M each amino acid, 0.1 M MOPS/Hepes pH 7.5, crystal ID 254835h6, unique puck ID fhx2-7