6BP2

Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 3 2 1
Unit cell lengths	133.796, 133.796, 151.003
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.167 - 3.172
R-factor	0.2536
Rwork	0.252
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3X2D
RMSD bond length	0.013
RMSD bond angle	1.651
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	3.290
High resolution limit [Å]	3.170	3.170
Rmerge	0.160	2.020
Rmeas	0.170
Number of reflections	26795	2652
<I/σ(I)>	12.4	1.3
Completeness [%]	99.3	98.38
Redundancy	11	11.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM HEPES pH 7.5, 5% PEG 3000, 26% PEG 400, 6% Glycerol