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1E5H

DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1998-12-28
DetectorMAR scanner 300 mm plate
Spacegroup nameH 3
Unit cell lengths106.260, 106.260, 71.060
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution16.570 - 1.960
R-factor0.22
Rwork0.220
R-free0.25200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rxf
RMSD bond length0.012
RMSD bond angle22.700

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS (RIGID BODY REFINEMENT)
Refinement softwareCNS (0.9)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.980
High resolution limit [Å]1.9601.950
Rmerge0.0900.281
Total number of observations128961

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Number of reflections21766
<I/σ(I)>25.96.29
Completeness [%]99.899.6
Redundancy5.92
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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720

*

Lloyd, M.D., (1999) J.Mol.Biol., 287, 943.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirHEPES-NaOH100 (mM)
21reservoirpotassium 2-oxoglutarate5 (mM)
31reservoirammonium sulfate1.6-1.7 (M)
41dropHEPES-NaOH55 (mM)
51droppotassium 2-oxoglutarate2.5 (mM)
61dropammonium sulfate0.8-0.85 (M)

217705

數據於2024-03-27公開中

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