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2YCA

Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]110
Detector technologyCCD
Collection date2011-03-02
DetectorADSC QUANTUM 315r
Spacegroup nameP 21 21 2
Unit cell lengths56.747, 162.330, 49.789
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution162.330 - 1.800
R-factor0.1551
Rwork0.152
R-free0.21027
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2Y4H
RMSD bond length0.024
RMSD bond angle1.875
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]81.1701.900
High resolution limit [Å]1.8001.800
Rmerge0.1200.930
Number of reflections43565
<I/σ(I)>7.61.5
Completeness [%]99.999.9
Redundancy4.24.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
170.6 M SUCCINIC ACID, PH 7.0 .

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