1WBZ

CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	89.166, 91.256, 67.183
Unit cell angles	90.00, 111.37, 90.00

Refinement procedure

Resolution	40.000 * - 2.000
R-factor	0.21
Rwork	0.208
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kpu
RMSD bond length	0.013
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.058 *	0.330
Number of reflections	60662
<I/σ(I)>	23.9	2.5
Completeness [%]	95.1	60
Redundancy	4.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	10 (mM)	pH8.0
2	1	drop	protein	20 (mg/ml)
3	1	reservoir	PEG8000	10-20 (%(w/v))
4	1	reservoir	calcium acetate	0.2 (M)	or magnesium acetate
5	1	reservoir	cacodylate	0.1 (M)	pH6.4