5IF5

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to EBSI-39 (2,3-dichlorophenyl)methanol

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	2014-08-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978720
Spacegroup name	P 65 2 2
Unit cell lengths	68.430, 68.430, 395.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.436 - 2.250
R-factor	0.177
Rwork	0.175
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2666: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	47.436	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.101	0.067	0.491
Number of reflections	27497
<I/σ(I)>	12.91	22.49	4.15
Completeness [%]	99.9	96.8	100
Redundancy	5.2
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	20 mg/mL protein against Morpheus D10 with 10% PEG 8000, 20% EG, 0.02 M each alcohol, 0.1 M bicine/Trisma base pH 8.5, crystal tracking ID 263964d10, unique puck ID pyl5-5