1AKJ

COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-02-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	70.900, 89.600, 116.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.650
R-factor	0.206
Rwork	0.206
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3HLA 1cd8
RMSD bond length	0.006
RMSD bond angle	26.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.710
High resolution limit [Å]	2.650	2.650
Rmerge	0.095 *	0.446 *
Total number of observations	77731 *
Number of reflections	21379
<I/σ(I)>	15.2	2.6
Completeness [%]	96.5	96.4
Redundancy	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5		PROTEIN WAS CRYSTALLIZED FROM 12% PEG 20000, 100 MM MES, PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		10 (mM)
4	1	drop	CD8alphaalpha	10 (mg/ml)
5	1	reservoir	PEG20000	12 (%)
6	1	reservoir	MES	100 (mM)