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2PMP

Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from the isoprenoid biosynthetic pathway of Arabidopsis thaliana

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2006-06-24
DetectorADSC QUANTUM 315
Wavelength(s)1.0358
Spacegroup nameI 41 3 2
Unit cell lengths135.795, 135.795, 135.795
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.600 - 2.300
R-factor0.2
Rwork0.198
R-free0.25100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gx1
RMSD bond length0.014
RMSD bond angle1.507
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.6002.360
High resolution limit [Å]2.3002.300
Number of reflections9624
<I/σ(I)>7
Completeness [%]100.089.67
Redundancy19.63.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629318% PEG3350, 100mM MES, 200mM Ammonium Dihydrogen Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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