4LCC

Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	85.902, 88.585, 155.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.316 - 3.263
R-factor	0.2597
Rwork	0.257
R-free	0.31240
RMSD bond length	0.006
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.360
High resolution limit [Å]	3.263	3.263
Rmerge		0.425
Number of reflections	18509
<I/σ(I)>	12.8	3.92
Completeness [%]	97.0	78.3
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Hepes, 1.5 M Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K