6MI2

Structure of the human 4-1BB / Utomilumab Fab complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	I 1 2 1
Unit cell lengths	136.903, 73.338, 175.121
Unit cell angles	90.00, 98.99, 90.00

Refinement procedure

Resolution	49.303 - 2.720
R-factor	0.24
Rwork	0.238
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.303	49.300	2.820
High resolution limit [Å]	2.720	10.530	2.720
Rmerge	0.350	0.037	4.509
Rmeas	0.379	0.041	4.869
Rpim	0.143	0.016	1.824
Number of reflections	46410	846	4497
<I/σ(I)>	6.8
Completeness [%]	100.0	98.9	100
Redundancy	6.9	6.3	7
CC(1/2)	0.985	0.999	0.235

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	1.5M lithium sulfate, 0.1M HEPES pH 7.0