4R0R

Ebolavirus GP Prehairpin Intermediate Mimic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.10
Spacegroup name	P 3 2 1
Unit cell lengths	38.510, 38.510, 72.588
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.585 - 2.150
R-factor	0.2742
Rwork	0.272
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CANONICAL HELICAL MODEL OF IZN AND N-TRIMER MODEL
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.054	0.036	0.914
Number of reflections	3680
<I/σ(I)>	16.7
Completeness [%]	99.9	100	99.7
Redundancy	25.6	40.5	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Synthetic peptide (protein) eboIZN21 dissolved in ddH2O at 10 mg/ml mixed in 2:1 protein:well buffer ratio with 30% (v/v) 1,2-propanediol, 100 mM HEPES pH 7.5, 20% (v/v) PEG-400 at 4 degrees Celcius (277 K), VAPOR DIFFUSION, SITTING DROP