1FFN

CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH PEPTIDE GP33(C9M)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1
Unit cell lengths	47.258, 68.913, 81.751
Unit cell angles	72.92, 73.24, 69.97

Refinement procedure

Resolution	50.000 - 2.700
Rwork	0.240
R-free	0.28600
RMSD bond length	0.008
RMSD bond angle	24.900 *
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	2.870
High resolution limit [Å]	2.700	2.700
Rmerge	0.119	0.354
Total number of observations	99827 *
Number of reflections	22352
<I/σ(I)>	5.2
Completeness [%]	89.8	85.6
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	14% PEG8000, 1% Dioxane, 25mM 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	drop	protein	10 (mg/ml)
2	1	drop	MES	25 (mM)	pH6.5
3	1	reservoir	PEG8000	10-20 (%)
4	1	reservoir	MES	25 (mM)	pH6.5
5	1	reservoir	dioxane	1 (%)