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3UXA

Designed protein KE59 R1 7/10H

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2009-12-15
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 31
Unit cell lengths61.860, 61.860, 119.435
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.465 - 2.500
R-factor0.21587
Rwork0.212
R-free0.28358
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3uyc
RMSD bond length0.016
RMSD bond angle1.648
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.4652.540
High resolution limit [Å]2.5002.500
Rmerge0.1590.700
Number of reflections17470
<I/σ(I)>9.72.2
Completeness [%]98.399.4
Redundancy3.94.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP52770.2 M ammonium chloride, 0.1 M sodium acetate, pH 5.0, 20% PEG6000, 3-(1-Methylpiperidinum)-1-propane-sulfonate, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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