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9US3

Klebsiella pneumoniae maltohexaose-producing alpha-amylase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron sitePhoton Factory
BeamlineAR-NE3A
Temperature [K]95
Detector technologyCCD
Collection date2013-01-23
DetectorADSC QUANTUM 270
Wavelength(s)1.00
Spacegroup nameP 1 21 1
Unit cell lengths74.726, 107.839, 82.361
Unit cell angles90.00, 97.35, 90.00
Refinement procedure
Resolution30.682 - 1.899
Rwork0.188
R-free0.21730
Structure solution methodSIRAS
RMSD bond length0.002
RMSD bond angle1.166
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.930
High resolution limit [Å]1.8991.899
Rmerge0.1530.842
Number of reflections1019505084
<I/σ(I)>13.42.4
Completeness [%]100.0
Redundancy7.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH6.22938% polyethylene glycol 3000, 4% polyethylene glycol 3350, 40 mM sodium thiocyanate

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