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3LO4

Crystal structure of human alpha-defensin 1 (R24A mutant)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-04-08
DetectorRIGAKU RAXIS IV++
Spacegroup nameP 21 21 2
Unit cell lengths46.627, 48.673, 24.557
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.750
R-factor0.173
Rwork0.171
R-free0.21000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3gny
RMSD bond length0.016
RMSD bond angle1.585
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0070)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]33.6701.780
High resolution limit [Å]1.7501.750
Rmerge0.0500.568
Number of reflections5942
<I/σ(I)>25.72.8
Completeness [%]99.097.2
Redundancy5.85
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.629820% PEG 4,000; 0.1 M sodium citrate tribasic dehydrate; 20% iso-propanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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