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1GVG

Crystal Structure of Clavaminate Synthase with Nitric Oxide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200H
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2001-02-15
DetectorMAR scanner 345 mm plate
Spacegroup nameP 21 21 21
Unit cell lengths64.270, 69.520, 70.190
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.540
R-factor0.1842
Rwork0.184
R-free0.20740

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ds0
RMSD bond length0.010
RMSD bond angle1.600
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.600
High resolution limit [Å]1.5401.540
Rmerge0.0540.298
Total number of observations301822

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Number of reflections463814038

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<I/σ(I)>29.13.8
Completeness [%]97.786
Redundancy13.24.46
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.5

*

20

*

pH 7.60
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20 (mg/ml)
21reservoirTris100 (mM)pH7.5
31reservoirammonium sulfate2.0 (M)
41reservoirglycerol10 (%)

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