6BJ3

TCR55 in complex with HIV(Pol448-456)/HLA-B35

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99995
Spacegroup name	C 1 2 1
Unit cell lengths	199.996, 61.414, 92.064
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	48.094 - 1.898
R-factor	0.1883
Rwork	0.188
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1A1N 4lfh 4pj5
RMSD bond length	0.003
RMSD bond angle	0.599
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.966
High resolution limit [Å]	1.898	1.898
Rmerge	0.138	1.313
Rmeas	0.163	1.563
Rpim	0.085	0.838
Number of reflections	83485	7910
<I/σ(I)>	4.67	0.7
Completeness [%]	97.8	92.69
Redundancy	3.4	3.3
CC(1/2)	0.985	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG4000, 0.1 M sodium cacodylate, pH 6.0, 0.2 M ammonium sulfate