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1XH3

Conformational Restraints and Flexibility of 14-Meric Peptides in Complex with HLA-B*3501

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyCCD
Collection date2002-12-03
DetectorMARRESEARCH
Wavelength(s)1.05
Spacegroup nameP 21 21 21
Unit cell lengths50.828, 81.663, 109.798
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution18.600 - 1.480
R-factor0.17979
Rwork0.178
R-free0.20820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1a1n
RMSD bond length0.013
RMSD bond angle1.491
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((SCALA))
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]18.6001.560
High resolution limit [Å]1.4801.480
Rmerge0.0610.452
Number of reflections72270
<I/σ(I)>5.21.6
Completeness [%]93.792
Redundancy3.43.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5293PEG4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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