4IBD

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)	0.9792370
Spacegroup name	P 21 21 21
Unit cell lengths	51.562, 65.485, 72.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.376 - 1.840
R-factor	0.1797
Rwork	0.177
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.239
Data reduction software	HKL-3000
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	1.870
High resolution limit [Å]	1.840	4.990	1.840
Rmerge	0.117	0.054	0.927
Number of reflections	21924
<I/σ(I)>	6.3
Completeness [%]	99.8	99.6	96.8
Redundancy	8.4	7.7	7.3

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