7EA6

Crystal structure of TCR-017 ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2021-02-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.07
Spacegroup name	C 2 2 21
Unit cell lengths	81.049, 81.175, 315.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.418 - 2.180
R-factor	0.224406282572
Rwork	0.222
R-free	0.27612
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c0b
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	PHENIX (1.12_2829)
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.370	2.300
High resolution limit [Å]	2.180	2.180
Rmerge	0.093	0.816
Rmeas	0.100	0.880
Rpim	0.038	0.328
Number of reflections	371960	7915
<I/σ(I)>	13.7	2.3
Completeness [%]	99.8	99.6
Redundancy	6.8	7.1
CC(1/2)	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1M Hepes (pH 7.0), 1.1M sodium malonate