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3IRD

Structure of dihydrodipicolinate synthase from Clostridium botulinum

Replaces:  3BI8
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyIMAGE PLATE
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 42 21 2
Unit cell lengths92.810, 92.810, 60.350
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.200 - 2.230
R-factor0.14226
Rwork0.135
R-free0.20928
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.021
RMSD bond angle1.708
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.2002.350
High resolution limit [Å]2.2302.230
Rmerge0.0460.104
Number of reflections12667
<I/σ(I)>26.512.5
Completeness [%]94.767.6
Redundancy6.14.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.66281Crystal were obtained from a 400 nL drop formed from 200 nL of protein solution (11.2 mg/mL, in 10 mM Tris-HCl, pH 8.0) and 200 nL of precipitant (polyethylene glycol 3350 15.7% w/v, malic acid 100 mM, pH 5.66). The drop was incubated at 281K. The reservoir (80 micro-L) contained polyethylene glycol 3350 (15.7% w/v) and malic acid (100 mM, pH 5.66)., VAPOR DIFFUSION, SITTING DROP

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PDB entries from 2024-11-06

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