1B0G

CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 COMPLEX

Replaces:  1A9K

Experimental procedure

Experimental method	MONOCHROMATIC
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	50.090, 62.890, 74.680
Unit cell angles	81.98, 76.18, 77.86

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.26
Rwork	0.255
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hhj
RMSD bond length	0.008
RMSD bond angle	1.905 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	0.176
Total number of observations	77499 *
Number of reflections	29804
<I/σ(I)>	16.6	6.5
Completeness [%]	90.9	70.8
Redundancy	2.6	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		PROTEIN WAS CRYSTALLIZED IN THE HANGING DROP VAPOR DIFFUSION METHOD. THE RESERVOIR SOLUTION CONTAINED 12-16% PEG6000, 6% DIOXANE IN 25MM MES BUFFER, PH6.5. THE HANGING DROP WAS A 1:1 MIXTURE OF THE RESERVOIR SOLUTION AND THE PROTEIN SOLUTION WHICH CONTAINED 10MG/ML PROTEIN IN 25MM MES BUFFER, PH6.5., vapor diffusion - hanging drop

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MES BUFFER
2	1	1	PEG 6000
3	1	1	DIOXANE
4	1	2	MES BUFFER
5	1	2	PEG 6000
6	1	2	DIOXANE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	12-16 (%)
2	1	reservoir	dioxane	6 (%)
3	1	reservoir	MES	25 (mM)	pH6.5
4	1	drop	protein	10 (mg/ml)
5	1	drop	MES	25 (mM)	pH6.5