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1IH8

NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]120
Detector technologyIMAGE PLATE
Collection date2000-06-27
DetectorMACSCIENCE DIP100
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths52.599, 85.411, 60.253
Unit cell angles90.00, 110.88, 90.00
Refinement procedure
Resolution29.830 - 1.900
R-factor0.167
Rwork0.167
R-free0.20500
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1nsy
RMSD bond length0.005
RMSD bond angle20.100

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.0480.154
Total number of observations112884

*

Number of reflections38796
<I/σ(I)>20.47.6
Completeness [%]98.898.8

*

Redundancy2.92.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5295used microseeding

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropHEPES-Na10 (mM)
21dropprotein20 (mg/ml)
31reservoirPEG40020-26 (%(v/v))
41reservoirHEPES-Na50 (mM)
51reservoir0.1 (M)
61reservoirAMP-CPP2 (mM)

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PDB entries from 2024-09-18

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