6AM5

Crystal structure of DMF5 TCR bound to HLA-A2 presenting synthetic peptide SMLGIGIVPV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	228.106, 49.900, 92.455
Unit cell angles	90.00, 95.72, 90.00

Refinement procedure

Resolution	38.754 - 2.394
R-factor	0.2033
Rwork	0.201
R-free	0.24370
RMSD bond length	0.002
RMSD bond angle	0.575
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.061	0.036	0.533
Rmeas	0.072	0.043	0.624
Rpim	0.037	0.022	0.322
Total number of observations	152065
Number of reflections	40458	2090	1993
<I/σ(I)>	8.7
Completeness [%]	98.0	95.9	98.5
Redundancy	3.8	3.6	3.7
CC(1/2)		0.997	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	298	13% PEG3350, 0.25 M magnesium chloride, 0.1 M Tris