6ZKW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	71.140, 108.670, 119.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.970 - 2.260
R-factor	0.24511
Rwork	0.243
R-free	0.28706
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w1w 5eu6
RMSD bond length	0.002
RMSD bond angle	1.195
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]	59.970	2.300
High resolution limit [Å]	2.260	2.260
Rmerge	0.069	1.183
Rpim	0.028	0.616
Number of reflections	44167	2150
<I/σ(I)>	14.3	1.1
Completeness [%]	99.7	97.95
Redundancy	6.8	4.3
CC(1/2)	0.999	0.352

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