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4C4R

Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2012-01-10
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 21 21 21
Unit cell lengths38.012, 54.201, 105.407
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.648 - 1.100
R-factor0.1504
Rwork0.149
R-free0.17260
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2wf5
RMSD bond length0.011
RMSD bond angle1.362
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.7001.160
High resolution limit [Å]1.1001.100
Rmerge0.0500.350
Number of reflections82900
<I/σ(I)>12.74.9
Completeness [%]93.185.7
Redundancy4.74.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.227-32% PEG 4000, 50-75 MM MAGNESIUM ACETATE, pH 7.2

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