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1MCZ

BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths134.800, 209.600, 163.400
Unit cell angles90.00, 97.10, 90.00
Refinement procedure
Resolution30.000 - 2.800
Rwork0.200
R-free0.22000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bfd
RMSD bond length0.007
RMSD bond angle1.370

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.900
High resolution limit [Å]2.8002.800
Rmerge0.0730.187

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Total number of observations561773

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Number of reflections206940

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<I/σ(I)>9.1
Completeness [%]94.0

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76

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7

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20

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CRYSTALS WERE GROWN AT ROOM TEMPERATURE BY HANGING-DROP VAPOR DIFFUSION AGAINST A WELL SOLUTION OF 20-22% PEG MME 2000, 100 mM Na citrate, pH 5.2-5.6, 0.15-0.2 M (NH4)2SO4 and 10 mM R-mandelate. DROPS CONTAINED EQUAL VOLUMES (2-4 MICROL) OF WELL SOLUTION AND PURIFIED BENZOYLFORMATE DECARBOXYLASE [20-50 MG/ML IN 0.1 MM MGCL2, 0.2 MM TDP, 15 MM NAHEPES (PH 7.0)]., pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20-50 (mg/ml)
21dropHEPES15 (mM)pH7.0
31dropThDP0.2 (mM)
41drop0.1 (mM)
51reservoirPEG2000MME20-22 (%)
61reservoirsodium citrate100 (mM)pH5.2-5.6
71reservoirammonium sulfate0.15-0.2 (M)
81reservoir(R)-mandelate10 (mM)

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PDB entries from 2024-03-27

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