6CPR

Crystal structure of 4-1BBL/4-1BB complex in C2 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	2018-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	115.280, 66.504, 129.356
Unit cell angles	90.00, 103.09, 90.00

Refinement procedure

Resolution	38.000 - 2.700
R-factor	0.2503
Rwork	0.249
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x29 5wi8
RMSD bond length	0.009
RMSD bond angle	1.346
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.000	38.000	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.143	0.078	0.921
Rmeas	0.156	0.085	1.022
Total number of observations	148726
Number of reflections	25892	308	1894
<I/σ(I)>	7.8	17.63	1.95
Completeness [%]	97.7	93.6	95.4
Redundancy	5.744	5.328	5.016
CC(1/2)	0.993	0.994	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Na acetate pH 4.6 10% W/V PEG 4000 0.2M Ammonium sulfate