1JK8

Crystal structure of a human insulin peptide-HLA-DQ8 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.034, 42.862, 87.467
Unit cell angles	90.00, 102.48, 90.00

Refinement procedure

Resolution	29.160 - 2.400
R-factor	0.224
Rwork	0.224
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014 *
RMSD bond angle	1.650 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.400	2.400 *
Rmerge	0.103	0.362 *
Number of reflections	18183
Completeness [%]	95.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	291	PEG 8000, magnesium acetate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2-5 (mg/ml)
2	1	reservoir	PEG8000	18-25 (%)
3	1	reservoir	glycine	100 (mM)
4	1	reservoir	magnesium acetate	100 (mM)