1KT2

CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IEK BOUND TO MOTH CYTOCHROME C PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	STORAGE PHOSPHORS
Collection date	1996-01-01
Detector	CUSTOM-MADE
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	147.790, 56.930, 115.990
Unit cell angles	90.00, 92.12, 90.00

Refinement procedure

Resolution	20.000 * - 2.800
R-factor	0.221 *
Rwork	0.220
R-free	0.29300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.397 *
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]	20.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.097 *	0.317 *
Number of reflections	22827	3185 *
Completeness [%]	95.2	93.4
Redundancy	2.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5 *	298	PEG4000, 2-propanol, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	PEG4000	12 (%)
3	1	reservoir	2-propanol	12 (%)
4	1	reservoir	sodium acetate	60 (mM)	pH5.5