1I7U

CRYSTAL STRUCTURE OF CLASS I MHC A2 IN COMPLEX WITH PEPTIDE P1049-6V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0789
Spacegroup name	P 1
Unit cell lengths	50.461, 63.333, 75.436
Unit cell angles	81.94, 76.44, 77.94

Refinement procedure

Resolution	50.000 * - 1.850 *
R-factor	0.237
Rwork	0.236
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.880
High resolution limit [Å]	1.850 *	1.850
Rmerge	0.040	0.178
Number of reflections	73305
<I/σ(I)>	9.3	2.7
Completeness [%]	97.2	95.5
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	14 (%)
2	1	reservoir	MES	25 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	drop	MES	25 (mM)