6BWV

Crystal Structure of the 4-1BB/4-1BBL Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-05
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.97946
Spacegroup name	I 21 3
Unit cell lengths	161.571, 161.571, 161.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 2.400
R-factor	0.22799
Rwork	0.227
R-free	0.26479
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x29
RMSD bond length	0.006
RMSD bond angle	1.122
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.165	1.449
Rmeas	0.173	1.523
Rpim	0.053	0.467
Number of reflections	27518	2863
<I/σ(I)>	12.4	2.5
Completeness [%]	100.0	99.6
Redundancy	20.6	10.3
CC(1/2)	0.994	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M Potassium citrate tribasic monohydrate 20 % w/v PEG 3350