6MHR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1271
Spacegroup name	C 2 2 21
Unit cell lengths	77.148, 192.058, 344.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.649 - 2.800
R-factor	0.2005
Rwork	0.200
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.650	49.650	2.870
High resolution limit [Å]	2.800	12.830	2.800
Rmerge	0.223	0.044	4.712
Rmeas	0.227	0.045	4.797
Rpim	0.044	0.010	0.896
Number of reflections	63589	738	4416
<I/σ(I)>	15.8
Completeness [%]	100.0	98.6	100
Redundancy	26.7	19.9	28
CC(1/2)	0.998	0.997	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	1M sodium malonate, pH 7.0, 0.4% v/v Jeffamine ED-2001 pH7.0, 0.1M HEPES pH7.0