7E57

Crystal structure of murine GITR-GITRL complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03923
Spacegroup name	P 1 21 1
Unit cell lengths	80.386, 62.564, 85.756
Unit cell angles	90.00, 116.23, 90.00

Refinement procedure

Resolution	38.463 - 3.302
R-factor	0.2782
Rwork	0.276
R-free	0.32410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q8o 6a3v
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.094	0.778
Number of reflections	77449
<I/σ(I)>	19.29
Completeness [%]	85.0
Redundancy	6.9
CC(1/2)	0.856	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.02M nickel (II) chloride hexahydrate, 0.02M magnesium chloride hexahydrate, 0.02M cadmium chloride hydrate, 0.1M sodium acetate trihydrate, pH4.1, 20% w/v polyethylene glycol monomethyl ether 2000