7RDV

TFH TCR bound to MHC Class II IAd presenting aggrecan epitope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	102.562, 102.562, 195.695
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.606 - 2.900
R-factor	0.238629382303
Rwork	0.237
R-free	0.26451
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iao
RMSD bond length	0.002
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.610	3.080
High resolution limit [Å]	2.900	2.900
Rmerge	0.163	1.209
Number of reflections	27175	4340
<I/σ(I)>	9.6
Completeness [%]	100.0
Redundancy	11.2
CC(1/2)	0.996	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.1M Sodium Cacodylate pH6.0 15% w/v PEG4000