1LNU

CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IAb BOUND TO EALPHA3K PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2001-12-06
Detector	SDMS
Wavelength(s)	0.99187
Spacegroup name	P 1 21 1
Unit cell lengths	65.040, 274.180, 65.120
Unit cell angles	90.00, 111.42, 90.00

Refinement procedure

Resolution	40.000 * - 2.500
Rwork	0.211
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iad
RMSD bond length	0.011
RMSD bond angle	1.511 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.352
Number of reflections	54497	1829 *
Completeness [%]	74.8	21.3
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG8000, MES, KH2PO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	16 (%)
2	1	reservoir	MES	0.1 (M)	pH6.0
3	1	reservoir		0.1 (M)
4	1	drop	protein	4-5 (mg/ml)