4L9L

Crystal structure of a human Valpha7.2/Vbeta13.2 MAIT TCR in complex with bovine MR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-20
Detector	MAR 300 CCD
Wavelength(s)	1.033160
Spacegroup name	P 21 21 21
Unit cell lengths	82.767, 86.980, 156.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.580 - 3.400
R-factor	0.257
Rwork	0.254
R-free	0.31200
RMSD bond length	0.005
RMSD bond angle	0.897
Data reduction software	DENZO
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	3.460
High resolution limit [Å]	3.400	3.400
Rmerge		0.595
Number of reflections	15806
<I/σ(I)>	14.8	5.4
Completeness [%]	99.1	95.6
Redundancy	11.4	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M Hepes, 1.6 M Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K