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2W6Y

Crystal structure of Sperm Whale Myoglobin mutant YQR in complex with Xenon

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyCCD
Collection date2000-05-06
DetectorMARRESEARCH
Spacegroup nameP 6
Unit cell lengths90.626, 90.626, 45.505
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution26.000 - 1.600
Rwork0.165
R-free0.19600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1naz
RMSD bond length0.010
RMSD bond angle1.188
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]26.1001.900
High resolution limit [Å]1.6001.600
Rmerge0.0600.170
Number of reflections28029
<I/σ(I)>15.23.2
Completeness [%]100.099.9
Redundancy5.75.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.72.6M (NH4)2SO4, 0.1M TRIS/HCL, PH8.5, pH 8.7

217705

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