3PWL

Human Class I MHC HLA-A2 in complex with the HuD peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-14
Detector	CUSTOM-MADE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	58.269, 84.147, 84.018
Unit cell angles	90.00, 90.08, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.1601
Rwork	0.158
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1duz
RMSD bond length	0.017
RMSD bond angle	1.725
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.077	0.031	0.530
Number of reflections	97689
<I/σ(I)>	15.2
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.7	3.6

Crystallization Conditions

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