- PDB-5tlc: Crystal structure of BdsA from Bacillus subtilis WU-S2B -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 5tlc
Title
Crystal structure of BdsA from Bacillus subtilis WU-S2B
Components
Dibenzothiophene desulfurization enzyme A
Keywords
OXIDOREDUCTASE / Monooxygenase
Function / homology
Function and homology information
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / nucleotide binding Similarity search - Function
A: Dibenzothiophene desulfurization enzyme A B: Dibenzothiophene desulfurization enzyme A C: Dibenzothiophene desulfurization enzyme A D: Dibenzothiophene desulfurization enzyme A
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.8→20 Å / Num. obs: 52326 / % possible obs: 99.6 % / Redundancy: 3.9 % / Net I/σ(I): 9.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
XDS
datareduction
SCALA
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→20 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.865 / SU B: 19.687 / SU ML: 0.369 / Cross valid method: THROUGHOUT / ESU R Free: 0.397 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27375
2510
4.8 %
RANDOM
Rwork
0.2117
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obs
0.21474
49761
99.62 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK