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1B0K

S642A:FLUOROCITRATE COMPLEX OF ACONITASE

Replaces:  1AS9
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]291
Detector technologyIMAGE PLATE
DetectorMARRESEARCH
Spacegroup nameB 1 1 2
Unit cell lengths187.800, 72.300, 74.100
Unit cell angles90.00, 90.00, 77.60
Refinement procedure
Resolution20.000 - 2.500
R-factor0.172
Rwork0.172
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1fgh
RMSD bond length0.018
RMSD bond angle25.000

*

Data reduction softwareMOSFLM
Data scaling softwareCCP4
Phasing softwareX-PLOR (3.8)
Refinement softwareX-PLOR (3.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.630
High resolution limit [Å]2.5002.500
Number of reflections30924
<I/σ(I)>4.51.6
Completeness [%]91.886.8
Redundancy2.92.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

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

237992

PDB entries from 2025-06-25

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