1EEZ

Crystal Structure Determination of HLA-A2.1 Complexed to GP2 Peptide Variant(I2L/V5L)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-30
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	50.210, 62.320, 74.660
Unit cell angles	82.15, 76.38, 78.33

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.263
Rwork	0.263
R-free	0.29000
RMSD bond length	0.008
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.095	0.293
Total number of observations	114345 *
Number of reflections	33403
<I/σ(I)>	4.73
Completeness [%]	87.7	84.8
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	18% PEG8000, 25 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	14-20 (%)
2	1	reservoir	MES	25 (mM)	pH6.5