1DDH

MHC CLASS I H-2DD HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND AN IMMUNODOMINANT PEPTIDE P18-I10 FROM THE HUMAN IMMUNODEFICIENCY VIRUS ENVELOPE GLYCOPROTEIN 120

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	51.330, 91.350, 108.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.200 *
R-factor	0.225 *
Rwork	0.229
R-free	0.33000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vad
RMSD bond length	0.010
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		3.200
High resolution limit [Å]	3.100	3.200 *
Rmerge	0.071 *	0.285 *
Total number of observations	27938 *
Number of reflections	7809 *
<I/σ(I)>	12.7	2.4
Completeness [%]	88.0 *	81.4 *
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG10000	16 (%(w/v))
3	1	reservoir	ammonium sulfate	0.1 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)