4IBF

Ebola virus VP35 bound to small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793376
Spacegroup name	P 21 21 21
Unit cell lengths	51.472, 65.951, 72.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.577 - 2.291
R-factor	0.1843
Rwork	0.180
R-free	0.25980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.145
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.290	6.210	2.290
Rmerge	0.121	0.046	0.503
Number of reflections	11548
<I/σ(I)>	6
Completeness [%]	99.9	98.8	100
Redundancy	6.9	6.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	100 mM sodium citrate, pH5.5, 15% PEG3350, 10%DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 298K