6A3W

Complex structure of 4-1BB and utomilumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	50.727, 184.604, 90.205
Unit cell angles	90.00, 104.04, 90.00

Refinement procedure

Resolution	39.537 - 2.000
R-factor	0.186
Rwork	0.184
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5L36 and 5GRJ
RMSD bond length	0.002
RMSD bond angle	0.596
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.537	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.066
Number of reflections	102833
<I/σ(I)>	12.3
Completeness [%]	95.0
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M lithium chloride, 0.1M Tris, pH 8.0, 20% w/v PEG 8000