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1M3Z

Biosynthetic thiolase, C89A mutant, complexed with acetyl coenzyme A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX II BEAMLINE I711
Synchrotron siteMAX II
BeamlineI711
Temperature [K]100
Detector technologyCCD
Collection date2001-09-22
DetectorMARRESEARCH
Wavelength(s)1.09785
Spacegroup nameP 1 21 1
Unit cell lengths84.600, 79.680, 149.321
Unit cell angles90.00, 92.83, 90.00
Refinement procedure
Resolution20.000 - 1.870
R-factor0.19461
Rwork0.192
R-free0.24200

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dlu
RMSD bond length0.017
RMSD bond angle1.600

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Data reduction softwareXDS
Data scaling softwareXDS
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.950
High resolution limit [Å]1.8701.870
Rmerge0.080

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0.353

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Number of reflections148799
<I/σ(I)>8.82.9
Completeness [%]90.893.3
Redundancy32.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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5293lithium sulphate, ammonium sulphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP at 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirsodium citrate0.1 (M)pH5.0
21reservoir1.0 (M)
31reservoirammonium sulfate0.9 (M)
41reservoirEDTA1 (mM)
51reservoirdithiothreitol1 (mM)
61reservoir1 (mM)
71dropprotein2 (mg/ml)

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PDB entries from 2024-10-30

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