4IBK

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)	0.9791209
Spacegroup name	P 21 21 21
Unit cell lengths	51.222, 65.689, 72.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.898 - 1.850
R-factor	0.1949
Rwork	0.193
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.183
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	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.125	0.093	0.481
Number of reflections	21610
<I/σ(I)>	7.8
Completeness [%]	99.9	99.8	99.5
Redundancy	6.9	6.4	5.6

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