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4PCA

X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2014-03-12
DetectorRAYONIX MX-225
Wavelength(s)0.97872
Spacegroup nameP 21 21 21
Unit cell lengths85.210, 102.760, 103.320
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.584 - 1.500
R-factor0.1482
Rwork0.147
R-free0.17210
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4oa5
RMSD bond length0.015
RMSD bond angle1.586
Data reduction softwareXDS
Data scaling softwareXDS
Refinement softwarePHENIX ((phenix.refine: 1.9pre_1665))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0001.540
High resolution limit [Å]1.5006.7101.500
Rmerge0.0730.0380.573
Rmeas0.0800.0420.626
Total number of observations892627
Number of reflections144437166410523
<I/σ(I)>16.2740.083.14
Completeness [%]99.592.199.1
Redundancy6.186.18
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7289400 nl of protein solution plus 400 nl of precipitant. Precipitant was MCSG2 well H5 - 0.1 M succinic acid pH 7.0, 15% PEG3350

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