3W0W

The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide in space group P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.921, 86.441, 251.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.603
R-factor	0.1892
Rwork	0.186
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vxu
RMSD bond length	0.010
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.603	7.050	2.603
Rmerge	0.115	0.085	0.402
Number of reflections	35008
<I/σ(I)>	5.2
Completeness [%]	99.5	99.7	98.9
Redundancy	5.2	5.8	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	16% PEG 3350, 0.1 M diammonium tartrate, 0.2% n-dodecyl-N,N-dimethylamine-N-oxide (LDAO) 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K