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2HU3

Parent Structure of Hen Egg White Lysozyme grown in acidic pH 4.8. Refinement for comparison with crosslinked molecules of lysozyme

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2005-06-15
DetectorADSC QUANTUM 210
Wavelength(s)0.9737
Spacegroup nameP 43 21 2
Unit cell lengths78.870, 78.870, 36.788
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution55.730 - 1.300
R-factor0.105
Rwork0.103
R-free0.14500
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)In-house model
RMSD bond length0.017
RMSD bond angle1.571
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareREFMAC (5.2)
Refinement softwareREFMAC (5.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.7301.320
High resolution limit [Å]1.3001.300
Rmerge0.0570.538
Number of reflections29161
<I/σ(I)>10.53.92
Completeness [%]100.0100
Redundancy2715.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.82930.1M Na Acetate, pH 4.8, 7% NaCl, 25% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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