4I48

Structure of HLA-A68 complexed with an HIV Env derived peptide

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	2012-10-08
Detector	RIGAKU SATURN 944+
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	48.853, 68.194, 72.795
Unit cell angles	90.00, 100.23, 90.00

Refinement procedure

Resolution	32.517 - 2.799
R-factor	0.2205
Rwork	0.218
R-free	0.28130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.756
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.799	2.799
Number of reflections	11512
Completeness [%]		99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M ammonium acetate, 0.1M Bis-Tris, 17%(w/v) PEG10000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K