12QC

Crystal structure of 30G4 Fab in complex with an orthomarburgvirus GP2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	103.748, 145.084, 146.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 2.080
R-factor	0.1946
Rwork	0.193
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.636
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.310	2.200
High resolution limit [Å]	2.080	2.080
Rmerge	0.070	0.583
Number of reflections	132284	12966
<I/σ(I)>	11.4
Completeness [%]	99.7
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	20%(v/v) Isopropanol, 20%(v/v) PEG 3350, 0.1M Tris base/Hydrochloric Acid pH 8.5