7DZN

Crystal Structure of the cross-restricted T18A TCR and HLAB4201 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	2020-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 43 21 2
Unit cell lengths	96.992, 96.992, 263.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.700 - 2.630
R-factor	0.2102
Rwork	0.207
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u1j 4gg6 4udt
RMSD bond length	0.003
RMSD bond angle	0.675
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]	47.700	2.722
High resolution limit [Å]	2.628	2.628
Rmerge	0.036	0.299
Number of reflections	38478	3733
<I/σ(I)>	14.76
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M SPG pH 7.0, 25 % w/v PEG 1500