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3I5J

Diferric Resting State Toluene 4-Monooxygenase HD complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2008-12-11
DetectorRAYONIX MX-300
Wavelength(s)0.97872
Spacegroup nameC 2 2 21
Unit cell lengths100.405, 115.693, 181.307
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution90.540 - 1.900
R-factor0.16114
Rwork0.159
R-free0.20715
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.024
RMSD bond angle1.831
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0066)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.5401.949
High resolution limit [Å]1.9001.900
Number of reflections83188
Completeness [%]97.486.52
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629824% PEG 3350, 200 mM Ammonium Chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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