5D7L

Structure of human MR1-5-OP-RU in complex with human MAV36 TCR

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	2015-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	I 1 2 1
Unit cell lengths	89.280, 222.432, 98.979
Unit cell angles	90.00, 100.15, 90.00

Refinement procedure

Resolution	48.715 - 3.400
R-factor	0.2831
Rwork	0.280
R-free	0.33690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l4t
RMSD bond length	0.005
RMSD bond angle	0.852
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.7)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.240	89.240	3.630
High resolution limit [Å]	3.400	9.610	3.400
Rmerge	0.215	0.063	0.711
Rpim	0.149	0.043	0.493
Total number of observations	72832	3469	13329
Number of reflections	25456
<I/σ(I)>	14	58.5	3.4
Completeness [%]	97.4	96.6	97.4
Redundancy	2.9	3	2.9
CC(1/2)	0.963	0.989	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	BTP, PEG 3350, NaAc