6ZKX

Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	71.870, 107.860, 119.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.930 - 2.170
R-factor	0.21081
Rwork	0.209
R-free	0.24419
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w1w 5eu6
RMSD bond length	0.002
RMSD bond angle	1.175
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.930	2.210
High resolution limit [Å]	2.170	2.170
Rmerge	0.102	1.342
Rpim	0.040	0.579
Number of reflections	49326	2415
<I/σ(I)>	12.8	1.2
Completeness [%]	99.3	98.89
Redundancy	7.3	6.4
CC(1/2)	0.999	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.1 M Tris pH 8.5, 25% (w/v) PEG 4000, 15% Glycerol