3IXA

Human Class I MHC HLA-A2(A150P) in complex with the Tax peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-21
Spacegroup name	P 1 21 1
Unit cell lengths	60.891, 85.295, 82.484
Unit cell angles	90.00, 89.84, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.188
Rwork	0.186
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvb
RMSD bond length	0.017
RMSD bond angle	1.789
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.431
Number of reflections	48760
<I/σ(I)>	9.1	1.73
Completeness [%]	97.1	76.3
Redundancy	3.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	277	PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K