1QLF

MHC CLASS I H-2DB COMPLEXED WITH GLYCOPEPTIDE K3G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	61.073, 58.272, 77.146
Unit cell angles	90.00, 108.57, 90.00

Refinement procedure

Resolution	20.000 - 2.650
R-factor	0.204
Rwork	0.204
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ce6
RMSD bond length	0.007
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.730
High resolution limit [Å]	2.650	2.650
Rmerge	0.060 *	0.176 *
Number of reflections	14363
Completeness [%]	97.0	95.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	4 *	pH 5.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	peptide complex	10 (mg/ml)
2	1	drop	Tris buffered saline
3	1	reservoir	PEG6000	15-23 (%)
4	1	reservoir	ammonium sulfate	100 (mM)
5	1	reservoir	MES	100 (mM)