7D4B

Crystal structure of 4-1BB in complex with a VHH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	106.851, 106.851, 146.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 3.140
R-factor	0.2136
Rwork	0.211
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mgp 4xta
RMSD bond length	0.014
RMSD bond angle	2.142
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.790	3.360
High resolution limit [Å]	3.140	3.140
Rmerge	0.162	1.241
Rpim	0.047	0.359
Number of reflections	15429	2723
<I/σ(I)>	16.1
Completeness [%]	99.9	99.8
Redundancy	12.9	12.8
CC(1/2)	0.998	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291	1.5 M lithium sulfate, 100 mM Tris (pH 8.5), 10 mM nickel sulfate