5ISZ

Crystal structure of LS01-TCR/M1-HLA-A*02 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-17
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	63.810, 75.460, 121.200
Unit cell angles	90.00, 98.01, 90.00

Refinement procedure

Resolution	29.143 - 2.060
R-factor	0.1846
Rwork	0.184
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oga
RMSD bond length	0.005
RMSD bond angle	0.692
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.066	36.025	2.170
High resolution limit [Å]	2.060	6.510	2.060
Rmerge		0.077	0.490
Number of reflections	65704
<I/σ(I)>	5.6	8.4	1.5
Completeness [%]	92.9	98.5	84.9
Redundancy	5.7	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	14% (w/v) PEG 4000, 100 mM Na-HEPES pH 7.0, 200 mM ammonium sulfate