5IFD

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4721 1-(4-fluorophenyl)-1H-imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99985
Spacegroup name	P 65 2 2
Unit cell lengths	69.030, 69.030, 397.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.775 - 2.650
R-factor	0.1776
Rwork	0.175
R-free	0.22590
RMSD bond length	0.007
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.775	47.775	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge	0.087	0.032	0.525
Number of reflections	17423
<I/σ(I)>	15.26	32.57	3.31
Completeness [%]	99.7	94.7	99.8
Redundancy	5.2
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	20 mg/mL protein against Morpheus screen condition E10 with 10% PEG 8000, 20% EG, 0.03 M each ethylene glycol, 0.1 M bicine/Trizma pH 8.5, 5 mM soak over 4 days, unique puck ID lum0-5