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1B0J

CRYSTAL STRUCTURE OF ACONITASE WITH ISOCITRATE

Replaces:  1AR3
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]291
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Spacegroup nameB 1 1 2
Unit cell lengths187.400, 72.100, 73.900
Unit cell angles90.00, 90.00, 77.70
Refinement procedure
Resolution20.000 - 2.500
R-factor0.162
Rwork0.162
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1fgh
RMSD bond length0.018
RMSD bond angle25.000

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Data reduction softwareMOSFLM
Data scaling softwareCCP4
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.630
High resolution limit [Å]2.5002.500
Number of reflections29472
<I/σ(I)>7.32.5
Completeness [%]88.179.4
Redundancy2.32.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

*

726

*

pH 7.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein16-18 (mg/ml)
21dropBis-Tris-HCl0.25 (M)
31drop0.35 (M)
41reservoirammonium sulfate2.2-2.4 (M)
51reservoirbis-Tris-HCl0.25 (M)
61reservoir0.35 (M)
71dropammonium sulfate

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PDB entries from 2024-05-15

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