5WI8

Crystal structure of murine 4-1BB from HEK293T cells in P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	65.011, 61.763, 110.750
Unit cell angles	90.00, 91.53, 90.00

Refinement procedure

Resolution	40.000 - 2.950
R-factor	0.2376
Rwork	0.235
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.485
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.129	0.082	0.283
Rmeas	0.154	0.097	0.348
Rpim	0.084	0.051	0.199
Total number of observations	53045
Number of reflections	17070
<I/σ(I)>	6.9
Completeness [%]	91.8	96.2	67.5
Redundancy	3.1	3.3	2.4
CC(1/2)		0.984	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295.15	0.1 M sodium acetate pH 4.5, 30% w/V polyethylene glycol (PEG) 8000, and 0.2 M lithium sulfate