6MGP

Structure of human 4-1BB / 4-1BBL 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	2017-05-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	102.013, 229.378, 114.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.907 - 2.130
R-factor	0.2181
Rwork	0.217
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x29
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.205	10.329
Rmeas	0.209	10.518
Rpim	0.040	1.977
Total number of observations	2039905
Number of reflections	75083	4362
<I/σ(I)>	17.1
Completeness [%]	99.6	99
Redundancy	27.2	27.7
CC(1/2)	0.999	0.287

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	295	2.5M sodium acetate pH 7.0 plus 0.1% w/v Ovalbumin, 0.0005% w/v Pepsin, 0.0005% w/v Proteinase K, 0.0005% w/v Trypsin, 0.002 M HEPES sodium pH 6.8