6F6I

CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	H 3 2
Unit cell lengths	113.680, 113.680, 306.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.008 - 2.400
R-factor	0.1931
Rwork	0.192
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jq7
RMSD bond length	0.003
RMSD bond angle	0.649
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	PHENIX ((dev_2940: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.440	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.094
Number of reflections	30184	1446
<I/σ(I)>	28.9	1.6
Completeness [%]	99.8	96.9
Redundancy	37.2	13.6
CC(1/2)	0.999	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	9% (W/V) PEG 6000 AND 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE