7R7Z

Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	43.156, 59.381, 82.675
Unit cell angles	90.00, 90.49, 90.00

Refinement procedure

Resolution	41.336 - 2.286
R-factor	0.2165
Rwork	0.214
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.002
RMSD bond angle	0.530
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.280	4.950	2.300
Rmerge	0.149	0.061	0.866
Rmeas	0.165	0.068	1.035
Rpim	0.070	0.029	0.555
Number of reflections	18393	1918	1683
<I/σ(I)>	6.2
Completeness [%]	98.1	99.1	90.2
Redundancy	5.1	5.4	2.6
CC(1/2)		0.993	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	1.0 M lithium sulfate, 0.5 M ammonium sulfate, 0.1 M sodium citrate/citric acid, pH 5.6