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3UHY

HBI (R104K) deoxy

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2001-02-06
DetectorRIGAKU RAXIS IIC
Wavelength(s)1.5418
Spacegroup nameC 2 2 21
Unit cell lengths92.060, 44.440, 143.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution33.210 - 2.200
R-factor0.174
Rwork0.174
R-free0.20700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4sdh
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0660.260
Number of reflections14786
<I/σ(I)>13.33.7
Completeness [%]95.688.8
Redundancy2.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1SMALL TUBES8.52981.5-2.5 M phosphate, pH 8.50, SMALL TUBES, temperature 298K

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