1CE6

MHC CLASS I H-2DB COMPLEXED WITH A SENDAI VIRUS NUCLEOPROTEIN PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	60.787, 58.082, 74.666
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	10.000 - 2.900
R-factor	0.217 *
Rwork	0.217
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1HOC AND 3HLA
RMSD bond length	0.008
RMSD bond angle	24.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.096 *	0.376 *
Number of reflections	11481
<I/σ(I)>	10	2.6
Completeness [%]	96.1	86.2
Redundancy	2.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	4 *	pH 5.0

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)