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2ZOL

Crystal structure of H-2Db in complex with the W513S variant of JHMV epitope S510

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
Collection date2007-07-20
DetectorMAR CCD 165 mm
Wavelength(s)0.999
Spacegroup nameP 1 2 1
Unit cell lengths83.561, 71.033, 86.999
Unit cell angles90.00, 103.45, 90.00
Refinement procedure
Resolution33.700 - 2.700
R-factor0.2564
Rwork0.254
R-free0.30726
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bz9
RMSD bond length0.006
RMSD bond angle0.960
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.3902.850
High resolution limit [Å]2.7002.700
Rmerge0.0830.330
Number of reflections27219
<I/σ(I)>8.23.2
Completeness [%]99.399.1
Redundancy33
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.42940.1M sodium citrate, 28% PEG 3350, 0.15M lithium sulfate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K

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