7DZM

Crystal Structure of the cross-restricted T18A TCR and HLAB8101 bound to HIV-1 Gag TL9 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	95
Detector technology	CCD
Collection date	2019-12-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	93.098, 93.098, 263.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.550 - 2.250
R-factor	0.1974
Rwork	0.196
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u1i 4gg6 4udt
RMSD bond length	0.006
RMSD bond angle	0.822
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.550	2.322
High resolution limit [Å]	2.250	2.242
Rmerge	0.034	0.373
Rmeas	0.048	0.528
Number of reflections	56526	5547
<I/σ(I)>	15.84
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.2 M Potassium chloride, 0.05 M HEPES pH 7.5, 35% v/v Pentaerythritol propoxylate (5/4 PO/OH)