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3MRX

Glycogen phosphorylase complexed with 4-methoxybenzaldehyde-4-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-thiosemicarbazone

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX10.1
Synchrotron siteSRS
BeamlinePX10.1
Temperature [K]293
Detector technologyCCD
Collection date2007-11-19
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.04498
Spacegroup nameP 43 21 2
Unit cell lengths128.310, 128.310, 116.050
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.110 - 1.950
R-factor0.18367
Rwork0.182
R-free0.21606
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)2prj
RMSD bond length0.009
RMSD bond angle1.150
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.5802.060
High resolution limit [Å]1.9501.950
Rmerge0.0700.366
Number of reflections69032
<I/σ(I)>18.35
Completeness [%]97.897.2
Redundancy54.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1SMALL TUBES6.728920 mg/ml of protein in a buffer solution containing 10 mM BES pH 6.7, 1 mM EDTA and 3 mM DTT. 6.7mM inhibitor in 20% DMSO soaked with native crystals for 3 hrs, SMALL TUBES, temperature 289K

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