6XQP

Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	101.877, 113.433, 209.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 2.900
R-factor	0.1927
Rwork	0.190
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.003
RMSD bond angle	0.607
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	54572	5362
<I/σ(I)>	10.11
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.990	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	18-26% PEG3350, 100 mM Bis-Tris Propane 200 mM Sodium Bromide