6NAE

Crystal Structure of Ebola zaire GP protein with bound ARN0074898

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	2018-10-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	H 3 2
Unit cell lengths	113.250, 113.250, 307.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.554 - 2.750
R-factor	0.1974
Rwork	0.193
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f5u
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]	49.554	49.554	2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.065	0.025	0.528
Rmeas	0.070	0.028	0.567
Total number of observations	149327
Number of reflections	20154	260	1491
<I/σ(I)>	23.09	53.46	4.15
Completeness [%]	100.0	96.7	100
Redundancy	7.409	5.846	7.537
CC(1/2)	0.999	0.999	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	290	EbzaA.19907.a.HE11.PD38326 at 6.01 mg /ml and mixed 1:1 with an opt screen based on JCSG+(b8): 11 % (w/v) PEG-8000, 0.1 M Tris base/ HCl, pH = 7.1, 200 mM MgCl2, Crystals were soaked with 1 mM ARN0074898 for 4 hours and cryoprotected with 20% glyerol. Tray: 303411b4, puck: jvo4-3