1BII

THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	110
Collection date	1997-10
Spacegroup name	P 21 21 21
Unit cell lengths	51.260, 92.530, 108.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.400
R-factor	0.293 *
Rwork	0.278
R-free	0.33800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vac
RMSD bond length	0.009
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.040 *	0.298 *
Total number of observations	199263 *
Number of reflections	20963
<I/σ(I)>	34	4.7
Completeness [%]	96.5	94.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		Achour, A., (1998) Acta Cryst., D55, 260. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	sodium cacodylate	0.1 (M)
4	1	reservoir	ammonium sulfate	0.2 (M)
5	1	reservoir	PEG8000	30 (%)