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3F0F

Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with hydrolyzed CDP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2008-09-19
DetectorRIGAKU SATURN 944
Wavelength(s)1.54178
Spacegroup nameP 21 21 21
Unit cell lengths53.078, 66.457, 131.465
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.090
R-factor0.2
Rwork0.197
R-free0.24600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3f0d
RMSD bond length0.007
RMSD bond angle1.048
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (refmac_5.5.0053)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]65.8002.180
High resolution limit [Å]2.0902.090
Rmerge0.0980.549
Number of reflections27899
<I/σ(I)>15.8892.5
Completeness [%]98.898.4
Redundancy5.14.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP28934.4 mg/mL protein, Crystal ID 200564d9, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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