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3BW3

Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBSRF BEAMLINE 1W2B
Synchrotron siteBSRF
Beamline1W2B
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2007-06-10
DetectorMAR scanner 345 mm plate
Wavelength(s)1.0
Spacegroup nameI 41 2 2
Unit cell lengths113.465, 113.465, 115.585
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.200
R-factor0.185
Rwork0.185
R-free0.20700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3bw2
RMSD bond length0.007
RMSD bond angle1.360
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]10.0001.860
High resolution limit [Å]1.8001.800
Rmerge0.0800.489
Number of reflections30092
Completeness [%]86.2100
Redundancy10.510.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52890.2M ammonium dihydrogen phosphate, 0.1M Tris-Cl, 50% MPD, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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