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Crystal structure of MccF-like protein (BA_5613) in the complex with aspartyl sulfamoyl adenylate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2016-05-02
DetectorADSC QUANTUM 315r
Wavelength(s)0.97945
Spacegroup nameP 1 21 1
Unit cell lengths74.456, 85.808, 124.804
Unit cell angles90.00, 92.32, 90.00
Refinement procedure
Resolution32.611 - 2.095
R-factor0.183
Rwork0.181
R-free0.20960
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5fd8
RMSD bond length0.003
RMSD bond angle0.619
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 Overall
Low resolution limit [Å]32.611
High resolution limit [Å]2.095
Rmerge0.093
Number of reflections84529
<I/σ(I)>10.5
Completeness [%]92.7
Redundancy2.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52970.1 M TRIS, 25% PEG 3350

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