5IFB

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4719 5-chloro-2-(1H-imidazol-1-yl)aniline

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	68.920, 68.920, 396.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.685 - 2.450
R-factor	0.1781
Rwork	0.175
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iuj
RMSD bond length	0.007
RMSD bond angle	0.946
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]	47.685	47.685	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.089	0.025	0.515
Number of reflections	21735
<I/σ(I)>	14.58	34.48	3.03
Completeness [%]	99.6	92.5	100
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 Trizma/bicine pH 8.5, crystal tracking ID 256486e10, unique puck ID lum0-1