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3NOO

Crystal Structure of C101A Isocyanide Hydratase from Pseudomonas fluorescens

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Detector technologyCCD
Collection date2007-12-07
DetectorADSC QUANTUM 315
Wavelength(s)0.9
Spacegroup nameP 1 21 1
Unit cell lengths56.658, 40.391, 83.832
Unit cell angles90.00, 104.52, 90.00
Refinement procedure
Resolution20.000 - 1.030
R-factor0.1303
Rwork0.129
R-free0.16610
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3non
RMSD bond length0.007
RMSD bond angle0.021
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.070
High resolution limit [Å]1.0301.030
Rmerge0.0600.570
Number of reflections178460
<I/σ(I)>22.51.7
Completeness [%]99.094.9
Redundancy43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.629824-26% PEG 3350, 200-250 mM magnesium chloride, 100 mM Tris-HCl pH=8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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