9CU8

Crystal Structure of TNFR2 TNFR2_mb1 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	35.071, 74.621, 104.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.160 - 1.960
R-factor	0.1869
Rwork	0.183
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.799
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.160	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.137	0.725
Number of reflections	20443	1409
<I/σ(I)>	11.1	2.6
Completeness [%]	99.7	96
Redundancy	11	10.7
CC(1/2)	0.997	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.0M Imidazole; MES monohydrate (acid) pH 6.5, 0.12 M Monosaccharides, 40% v/v PEG 500 MME; 20% w/v PEG 20000