12QD

Crystal structure of CM12.1 Fab in complex with an orthomarburgvirus GP2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	64.262, 95.723, 150.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.890 - 2.470
R-factor	0.21
Rwork	0.241
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.541
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]	48.900	2.600
High resolution limit [Å]	2.470	2.470
Rmerge	0.170	0.565
Number of reflections	32969	3066
<I/σ(I)>	11.1
Completeness [%]	97.2
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	2.5M Sodium chloride, 0.1M Imidazole/Hydrochloric Acid pH 8.0, 0.2M Zinc acetate, 30% MPD additive