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2GTZ

Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A28L substitution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2005-11-22
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.979
Spacegroup nameP 1 21 1
Unit cell lengths58.400, 84.310, 84.140
Unit cell angles90.00, 90.13, 90.00
Refinement procedure
Resolution20.000 - 1.700
R-factor0.17412
Rwork0.172
R-free0.21730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1tvb
RMSD bond length0.016
RMSD bond angle1.710
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.760
High resolution limit [Å]1.7001.700
Rmerge0.1000.479
Number of reflections87504
<I/σ(I)>13.12.1
Completeness [%]97.085.6
Redundancy3.52.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5277PEG 3350 24%, MES 0.025M, NH4Cl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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