1I7T

CRYSTAL STRUCTURE OF CLASS I MHC A2 IN COMPLEX WITH PEPTIDE P1049-5V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Spacegroup name	P 1
Unit cell lengths	49.920, 62.930, 74.700
Unit cell angles	82.02, 76.28, 77.96

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.23
Rwork	0.229
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.340
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 *	2.850
High resolution limit [Å]	2.800	2.750
Rmerge	0.148	0.379
Number of reflections	20521
<I/σ(I)>	7	9
Completeness [%]	96.3 *	96.7
Redundancy	3.9

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)