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4U0M

Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) mutant D193N in complex with ATP, GTP and 5MTHFGLU2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2013-05-20
DetectorADSC QUANTUM 315r
Wavelength(s)0.968
Spacegroup nameP 1 21 1
Unit cell lengths69.898, 59.860, 104.185
Unit cell angles90.00, 95.55, 90.00
Refinement procedure
Resolution42.568 - 2.300
R-factor0.2015
Rwork0.199
R-free0.25300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4u0l
RMSD bond length0.012
RMSD bond angle0.704
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 Overall
Low resolution limit [Å]103.700
High resolution limit [Å]2.300
Number of reflections38293
<I/σ(I)>12.9
Completeness [%]99.5
Redundancy3.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729320% w/v PEG 3350, 200mM NaCl, 100mM Tris-HCl, 5mM GTP, 5mM ATP

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