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3NIO

Crystal structure of Pseudomonas aeruginosa guanidinobutyrase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 6B
Synchrotron sitePAL/PLS
Beamline6B
Temperature [K]100
Detector technologyCCD
Collection date2006-02-16
DetectorADSC QUANTUM 210
Wavelength(s)1.0626
Spacegroup nameP 1 21 1
Unit cell lengths82.047, 158.954, 84.547
Unit cell angles90.00, 114.84, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.23409
Rwork0.233
R-free0.25105
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gq7
RMSD bond length0.010
RMSD bond angle1.216
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]2.000
Rmerge0.097
Number of reflections133054
<I/σ(I)>24.4
Completeness [%]99.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529710mM cobalt(II) chloride, 0.1M MES at pH 6.5, 1.8M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 297K

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