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1F2V

CRYSTAL STRUCTURE ANALYSIS OF PRECORRIN-8X METHYLMUTASE OF AEROBIC VITAMIN B12 SYNTHESIS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]120
Detector technologyIMAGE PLATE
Collection date1999-05-18
DetectorMACSCIENCE
Spacegroup nameC 1 2 1
Unit cell lengths90.100, 36.600, 60.300
Unit cell angles90.00, 113.80, 90.00
Refinement procedure
Resolution20.000 - 2.100
R-factor0.183

*

Rwork0.183
R-free0.23600
RMSD bond length0.006
RMSD bond angle1.334
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (0.9)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.00020.000
High resolution limit [Å]2.1002.100
Rmerge0.0790.278
Total number of observations26519

*

Number of reflections8066
<I/σ(I)>8.4
Completeness [%]90.394.1
Redundancy3.32.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5289PEG 4000, magnesium chloride, Tris-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21reservoirPEG400025-32.5 (%)
31reservoir0.2 (M)
41reservoirTris-HCl0.1 (M)

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