3RL2

HIV Nef derived peptide Nef73 complexed to HLA-A*0301

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	70.054, 77.424, 78.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.738 - 2.386
R-factor	0.2129
Rwork	0.210
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.734
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.386	2.400
Number of reflections	16728
Completeness [%]	96.3	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.2M calcium acetate hydrate, 0.1M Sodium cacodylate trihydrate, 18%(w/v) Polyethylene glycol 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K