7YXU

Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	65.064, 213.465, 54.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.560 - 2.310
R-factor	0.208
Rwork	0.205
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nnp 6a3w
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.010	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.110
Number of reflections	34026	2403
<I/σ(I)>	8.9
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.970	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris/HCl pH 8.5, 0.2 M trimethyloxide (TMAO), 20% (w/v) PEG 2000 monomethylether (MME) and 20 mM MnCl2