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5G4A

AadA in complex with ATP and magnesium

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]193
Detector technologyPIXEL
Collection date2014-04-28
DetectorDECTRIS PIXEL
Spacegroup nameP 32
Unit cell lengths82.330, 82.330, 79.110
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution41.165 - 1.900
R-factor0.1784
Rwork0.176
R-free0.22220
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4cs6
RMSD bond length0.007
RMSD bond angle0.907
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.1652.000
High resolution limit [Å]1.9001.900
Rmerge0.1500.900
Number of reflections46215
<I/σ(I)>13.62.52
Completeness [%]96.990.2
Redundancy9.79.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.510% W/V PEG 20 000, 20% V/V PEG MME 550, 0.1 M BICINE/TRIZMA BASE PH 8.5, 0.02 M EACH OF SODIUM L-GLUTAMATE, DL-ALANINE, GLYCINE, DL-LYSINE HCL AND DL-SERINE (MORPHEUS SCREEN, MOLECULAR DIMENSIONS)

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