1KTD

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-12-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	145.520, 57.300, 116.570
Unit cell angles	90.00, 94.23, 90.00

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.22 *
Rwork	0.220
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.288 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.560
High resolution limit [Å]	2.400	2.400
Rmerge	0.047 *	0.264 *
Number of reflections	36433 *	5970 *
Completeness [%]	95.2	90.2
Redundancy	3.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG4000, 2-propanol, sodium acetate, ethylene glycol and ammonium sulfate, 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	10 (mg/ml)
2	1	reservoir	PEG4000	14 (%)
3	1	reservoir	2-propanol	14 (%)
4	1	reservoir	ethylene glycol	1.4 (%)
5	1	reservoir	sodium acetate	70 (mM)	pH5.0
6	1	reservoir	ammonium sulfate	320 (mM)