12QB

Crystal structure of CM11.1 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 21 21 2
Unit cell lengths	70.311, 75.104, 88.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.430 - 2.300
R-factor	0.1804
Rwork	0.176
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.052
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]	44.430	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.262
Number of reflections	20558	1936
<I/σ(I)>	18
Completeness [%]	95.7
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	20%(v/v) PEG 8000, 20%(v/v) PEG 400, 0.1M Magnesium Chloride, 0.1M Tris base/Hydrochloric Acid pH 8.5