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1O9O

Crystal structure of the S131A mutant of Malonamidase E2 complexed with malonamate from Bradyrhizobium japonicum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorRIGAKU IMAGE PLATE
Spacegroup nameP 21 21 2
Unit cell lengths103.770, 95.138, 75.057
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.300
R-factor0.166
Rwork0.166
R-free0.23500

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1GR8
RMSD bond length0.003

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RMSD bond angle0.900

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.086

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0.231

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Total number of observations345190

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Number of reflections33684
<I/σ(I)>9.62.83
Completeness [%]90.179.8
Redundancy32
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

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720% PEG1000, 0.1M TRIS-HCL PH7.0, 5MM MALONAMATE, pH 7.00
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21reservoirPEG100020 (%)
31reservoirTris-HCl0.1 (M)pH7.0

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PDB entries from 2024-03-27

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