3VXM

The complex between C1-28 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-12
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.117, 86.489, 234.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.21193
Rwork	0.209
R-free	0.26742
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tpu 3vxn
RMSD bond length	0.007
RMSD bond angle	0.924
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	35806
<I/σ(I)>	32.8	6.26
Completeness [%]	99.2	98.4
Redundancy	5.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	80mM HEPES, 8mM Cobalt(II) chloride hexahydrate, 8% PEG 6000, 4% 2-Methyl-2,4-pentanediol (MPD), 8mM betaine hydrochloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K