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3FJN

The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-09-04
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54179
Spacegroup nameP 21 21 2
Unit cell lengths95.317, 97.837, 69.610
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 2.300
R-factor0.1791
Rwork0.174
R-free0.27682
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2p5n
RMSD bond length0.024
RMSD bond angle2.189
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.0550.134
Number of reflections28098
<I/σ(I)>13.34.3
Completeness [%]98.994.7
Redundancy4.343.24
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52950.1M Sodium Cacodylate, 0.2M Magnesium Acetate, 20% Polyethylene glycol8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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