6F6N

CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	114.250, 114.250, 306.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.540 - 2.150
R-factor	0.1849
Rwork	0.184
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jq3
RMSD bond length	0.004
RMSD bond angle	0.689
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]	60.540	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.110
Number of reflections	42259	2065
<I/σ(I)>	34.2	1.4
Completeness [%]	100.0	100
Redundancy	66	14.2
CC(1/2)	1.000	0.708

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