9P8X

Crystal structure of GITR in complex with ligand-non-competitive Ab#1 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	113.198, 113.198, 219.664
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.760 - 2.860
R-factor	0.2163
Rwork	0.214
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.781
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.760	2.962
High resolution limit [Å]	2.860	2.860
Rmerge	0.018	0.269
Rmeas	0.026	0.381
Number of reflections	18744	1941
<I/σ(I)>	21.19	2.58
Completeness [%]	93.8
Redundancy	2
CC(1/2)	1.000	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% PEG20,000, and 100 mM sodium acetate pH 4.6